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LitCovid-PD-UBERON

Id Subject Object Predicate Lexical cue uberon_id
T1 3033-3037 Body_part denotes hand http://purl.obolibrary.org/obo/UBERON_0002398
T2 19970-19975 Body_part denotes blood http://purl.obolibrary.org/obo/UBERON_0000178
T3 21741-21760 Body_part denotes blood–brain barrier http://purl.obolibrary.org/obo/UBERON_0000120
T4 21741-21746 Body_part denotes blood http://purl.obolibrary.org/obo/UBERON_0000178
T5 21747-21752 Body_part denotes brain http://purl.obolibrary.org/obo/UBERON_0000955
T6 21993-21997 Body_part denotes skin http://purl.obolibrary.org/obo/UBERON_0000014
T7 22048-22052 Body_part denotes skin http://purl.obolibrary.org/obo/UBERON_0000014
T8 24913-24917 Body_part denotes hand http://purl.obolibrary.org/obo/UBERON_0002398

LitCovid-PD-FMA-UBERON

Id Subject Object Predicate Lexical cue fma_id
T1 459-466 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T2 591-599 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T3 2121-2125 Body_part denotes cell http://purl.org/sig/ont/fma/fma68646
T4 2170-2183 Body_part denotes glycoproteins http://purl.org/sig/ont/fma/fma62925
T5 2211-2223 Body_part denotes glycoprotein http://purl.org/sig/ont/fma/fma62925
T6 2525-2532 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T7 2716-2728 Body_part denotes glycoprotein http://purl.org/sig/ont/fma/fma62925
T8 2844-2856 Body_part denotes glycoprotein http://purl.org/sig/ont/fma/fma62925
T9 3004-3011 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T10 3033-3037 Body_part denotes hand http://purl.org/sig/ont/fma/fma9712
T11 3232-3235 Body_part denotes RNA http://purl.org/sig/ont/fma/fma67095
T12 10942-10950 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T13 11087-11094 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T14 11808-11815 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T15 14787-14793 Body_part denotes radius http://purl.org/sig/ont/fma/fma23463
T16 15631-15639 Body_part denotes Gprotein http://purl.org/sig/ont/fma/fma61788
T17 15665-15673 Body_part denotes Gprotein http://purl.org/sig/ont/fma/fma61788
T18 15739-15746 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T19 15888-15895 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T20 17013-17037 Body_part denotes biological macromolecule http://purl.org/sig/ont/fma/fma63887
T21 19970-19975 Body_part denotes blood http://purl.org/sig/ont/fma/fma9670
T22 21247-21251 Body_part denotes body http://purl.org/sig/ont/fma/fma256135
T23 21741-21746 Body_part denotes blood http://purl.org/sig/ont/fma/fma9670
T24 21747-21752 Body_part denotes brain http://purl.org/sig/ont/fma/fma50801
T25 21993-21997 Body_part denotes skin http://purl.org/sig/ont/fma/fma7163
T26 22048-22052 Body_part denotes skin http://purl.org/sig/ont/fma/fma7163
T27 22904-22911 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T28 24913-24917 Body_part denotes hand http://purl.org/sig/ont/fma/fma9712
T29 29068-29075 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T30 29480-29488 Body_part denotes backbone http://purl.org/sig/ont/fma/fma13478
T31 29508-29516 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T32 29892-29900 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T33 29921-29929 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T34 30409-30417 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T35 30542-30550 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T36 30596-30604 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T37 31105-31112 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T38 31476-31482 Body_part denotes Radius http://purl.org/sig/ont/fma/fma23463
T39 31592-31598 Body_part denotes radius http://purl.org/sig/ont/fma/fma23463
T40 31621-31627 Body_part denotes radius http://purl.org/sig/ont/fma/fma23463
T41 31679-31686 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T42 32229-32236 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T43 32285-32291 Body_part denotes Radius http://purl.org/sig/ont/fma/fma23463
T44 32602-32609 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T45 32685-32692 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T46 33401-33408 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T47 34392-34400 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T48 34757-34764 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T49 35100-35107 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T50 36721-36728 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T51 36740-36747 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T52 36837-36845 Body_part denotes backbone http://purl.org/sig/ont/fma/fma13478
T53 36859-36867 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T54 37081-37089 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T55 37220-37228 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T56 37637-37644 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T57 37660-37667 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T58 37746-37754 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T59 37807-37815 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T60 38043-38051 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T61 40533-40541 Body_part denotes proteins http://purl.org/sig/ont/fma/fma67257
T62 41953-41960 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257

LitCovid-PD-MONDO

Id Subject Object Predicate Lexical cue mondo_id
T1 66-74 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T2 162-209 Disease denotes severe acute respiratory syndrome coronavirus 2 http://purl.obolibrary.org/obo/MONDO_0100096
T3 162-195 Disease denotes severe acute respiratory syndrome http://purl.obolibrary.org/obo/MONDO_0005091
T4 211-219 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T5 234-252 Disease denotes infectious disease http://purl.obolibrary.org/obo/MONDO_0005550
T6 442-450 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T7 468-476 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T8 497-505 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T9 523-531 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T10 847-855 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T11 1087-1095 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T12 1166-1174 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T13 1784-1792 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T14 1885-1909 Disease denotes coronavirus disease 2019 http://purl.obolibrary.org/obo/MONDO_0100096
T15 1911-1919 Disease denotes COVID-19 http://purl.obolibrary.org/obo/MONDO_0100096
T16 2017-2064 Disease denotes severe acute respiratory syndrome coronavirus 2 http://purl.obolibrary.org/obo/MONDO_0100096
T17 2017-2050 Disease denotes severe acute respiratory syndrome http://purl.obolibrary.org/obo/MONDO_0005091
T18 2066-2074 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T19 2359-2392 Disease denotes severe acute respiratory syndrome http://purl.obolibrary.org/obo/MONDO_0005091
T20 2406-2414 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T21 2465-2473 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T22 3043-3051 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T23 3459-3467 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T24 4047-4055 Disease denotes COVID-19 http://purl.obolibrary.org/obo/MONDO_0100096
T25 4530-4538 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T26 5530-5538 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T27 5798-5806 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T28 6139-6147 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T29 6262-6270 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T30 6758-6766 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T31 6782-6786 Disease denotes SARS http://purl.obolibrary.org/obo/MONDO_0005091
T32 10225-10233 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T33 10249-10253 Disease denotes SARS http://purl.obolibrary.org/obo/MONDO_0005091
T34 10993-11001 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T35 11028-11036 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T36 11274-11278 Disease denotes SARS http://purl.obolibrary.org/obo/MONDO_0005091
T37 12256-12264 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T38 12369-12377 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T39 12447-12455 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T40 12471-12479 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T41 13166-13174 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T42 13190-13198 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T43 14211-14214 Disease denotes PME http://purl.obolibrary.org/obo/MONDO_0020074
T44 15850-15852 Disease denotes TS http://purl.obolibrary.org/obo/MONDO_0010979|http://purl.obolibrary.org/obo/MONDO_0016455
T46 15911-15913 Disease denotes TS http://purl.obolibrary.org/obo/MONDO_0010979|http://purl.obolibrary.org/obo/MONDO_0016455
T48 17354-17362 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T49 22569-22577 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T50 22593-22601 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T51 22863-22871 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T52 23100-23108 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T53 24117-24125 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T54 24178-24186 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T55 24791-24795 Disease denotes SARS http://purl.obolibrary.org/obo/MONDO_0005091
T56 24984-24992 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T57 25817-25825 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T58 25897-25905 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T59 26040-26048 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T60 26222-26230 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T61 26304-26312 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T62 26780-26788 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T63 27231-27239 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T64 27706-27714 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T65 27863-27871 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T66 28137-28141 Disease denotes SARS http://purl.obolibrary.org/obo/MONDO_0005091
T67 28673-28681 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T68 28833-28841 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T69 34071-34079 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T70 36260-36268 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T71 36935-36938 Disease denotes PC1 http://purl.obolibrary.org/obo/MONDO_0008173
T72 36943-36946 Disease denotes PC2 http://purl.obolibrary.org/obo/MONDO_0008174
T73 38293-38301 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T74 38446-38454 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T75 39051-39059 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T76 39868-39876 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T77 40039-40047 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T78 40372-40380 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T79 40708-40716 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T80 40930-40934 Disease denotes SARS http://purl.obolibrary.org/obo/MONDO_0005091
T81 41185-41193 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T82 41821-41829 Disease denotes COVID-19 http://purl.obolibrary.org/obo/MONDO_0100096
T83 41830-41854 Disease denotes coronavirus disease 2019 http://purl.obolibrary.org/obo/MONDO_0100096
T84 41855-41863 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T85 41866-41913 Disease denotes severe acute respiratory syndrome coronavirus 2 http://purl.obolibrary.org/obo/MONDO_0100096
T86 41866-41899 Disease denotes severe acute respiratory syndrome http://purl.obolibrary.org/obo/MONDO_0005091

LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T1 226-227 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T2 324-325 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T3 653-658 http://purl.obolibrary.org/obo/NCBITaxon_10239 denotes virus
T4 874-875 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T5 1148-1156 http://purl.obolibrary.org/obo/CLO_0001658 denotes actively
T6 1209-1212 http://purl.obolibrary.org/obo/CLO_0051582 denotes has
T7 1485-1487 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T8 1795-1800 http://purl.obolibrary.org/obo/NCBITaxon_10239 denotes virus
T9 1921-1924 http://purl.obolibrary.org/obo/CLO_0051582 denotes has
T10 1932-1933 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T11 2121-2125 http://purl.obolibrary.org/obo/GO_0005623 denotes cell
T12 2273-2274 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T13 2299-2304 http://purl.obolibrary.org/obo/NCBITaxon_9606 denotes human
T14 2479-2485 http://purl.obolibrary.org/obo/NCBITaxon_9606 denotes humans
T15 2555-2560 http://purl.obolibrary.org/obo/NCBITaxon_9606 denotes human
T16 2610-2619 http://purl.obolibrary.org/obo/CLO_0001658 denotes activated
T17 2636-2644 http://purl.obolibrary.org/obo/NCBITaxon_9606 denotes by human
T18 3155-3156 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T19 3271-3272 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T20 3284-3286 http://purl.obolibrary.org/obo/CLO_0053733 denotes 11
T21 3414-3422 http://purl.obolibrary.org/obo/CLO_0001658 denotes actively
T22 3569-3570 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T23 4061-4062 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T24 4268-4270 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T25 4813-4821 http://purl.obolibrary.org/obo/CLO_0001658 denotes activity
T26 4949-4955 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T27 5052-5053 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T28 5188-5191 http://purl.obolibrary.org/obo/CLO_0051582 denotes has
T29 5370-5371 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T30 6312-6315 http://purl.obolibrary.org/obo/CLO_0051582 denotes has
T31 6316-6317 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T32 6826-6828 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T33 6863-6869 http://purl.obolibrary.org/obo/UBERON_0000473 denotes tested
T34 6947-6949 http://purl.obolibrary.org/obo/CLO_0050050 denotes S1
T35 8127-8129 http://purl.obolibrary.org/obo/CLO_0053733 denotes 11
T36 8688-8690 http://purl.obolibrary.org/obo/CLO_0050510 denotes 18
T37 9000-9002 http://purl.obolibrary.org/obo/CLO_0050507 denotes 22
T38 9417-9419 http://purl.obolibrary.org/obo/CLO_0050509 denotes 27
T39 10078-10079 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T40 10102-10108 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T41 10117-10118 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T42 10193-10199 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T43 10351-10353 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T44 10704-10706 http://www.ebi.ac.uk/efo/EFO_0000265 denotes Da
T45 11396-11398 http://purl.obolibrary.org/obo/CLO_0050050 denotes S1
T46 11559-11564 http://purl.obolibrary.org/obo/UBERON_0007688 denotes Field
T47 11978-11981 http://purl.obolibrary.org/obo/CLO_0051582 denotes has
T48 12019-12020 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T49 12049-12050 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T50 12155-12156 http://purl.obolibrary.org/obo/CLO_0001020 denotes A
T51 12172-12173 http://purl.obolibrary.org/obo/CLO_0001020 denotes Å
T52 12179-12180 http://purl.obolibrary.org/obo/CLO_0001020 denotes Å
T53 12186-12187 http://purl.obolibrary.org/obo/CLO_0001020 denotes Å
T54 12273-12274 http://purl.obolibrary.org/obo/CLO_0001020 denotes A
T55 12295-12296 http://purl.obolibrary.org/obo/CLO_0001020 denotes Å
T56 12299-12301 http://purl.obolibrary.org/obo/CLO_0053799 denotes 45
T57 12302-12303 http://purl.obolibrary.org/obo/CLO_0001020 denotes Å
T58 12309-12310 http://purl.obolibrary.org/obo/CLO_0001020 denotes Å
T59 12716-12722 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T60 12790-12793 http://purl.obolibrary.org/obo/CLO_0050167 denotes LLC
T61 13039-13042 http://purl.obolibrary.org/obo/CLO_0050167 denotes LLC
T62 13078-13080 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T63 13224-13226 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T64 13579-13580 http://purl.obolibrary.org/obo/CLO_0001020 denotes A
T65 13778-13779 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T66 13985-13987 http://purl.obolibrary.org/obo/CLO_0008491 denotes ps
T67 14080-14081 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T68 14631-14633 http://purl.obolibrary.org/obo/CLO_0008491 denotes ps
T69 15132-15134 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T70 15344-15346 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T71 15969-15970 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T72 16259-16260 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T73 16744-16745 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T74 16819-16825 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T75 16921-16927 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T76 17011-17012 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T77 17194-17199 http://purl.obolibrary.org/obo/CLO_0007225 denotes label
T78 17496-17498 http://purl.obolibrary.org/obo/CLO_0008922 denotes S2
T79 17496-17498 http://purl.obolibrary.org/obo/CLO_0050052 denotes S2
T80 17626-17627 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T81 17763-17771 http://purl.obolibrary.org/obo/CLO_0001658 denotes actively
T82 17920-17928 http://purl.obolibrary.org/obo/CLO_0001658 denotes actively
T83 18197-18200 http://purl.obolibrary.org/obo/UBERON_0001013 denotes fat
T84 18217-18218 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T85 18265-18268 http://purl.obolibrary.org/obo/UBERON_0001013 denotes fat
T86 19079-19083 http://purl.obolibrary.org/obo/UBERON_0000473 denotes test
T87 19762-19763 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T88 19849-19850 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T89 19917-19918 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T90 19970-19975 http://purl.obolibrary.org/obo/UBERON_0000178 denotes blood
T91 19970-19975 http://www.ebi.ac.uk/efo/EFO_0000296 denotes blood
T92 20028-20032 http://purl.obolibrary.org/obo/CLO_0001185 denotes 2018
T93 21187-21188 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T94 21318-21319 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T95 21456-21461 http://purl.obolibrary.org/obo/UBERON_0000473 denotes tests
T96 21741-21746 http://purl.obolibrary.org/obo/UBERON_0000178 denotes blood
T97 21741-21746 http://www.ebi.ac.uk/efo/EFO_0000296 denotes blood
T98 21747-21752 http://purl.obolibrary.org/obo/UBERON_0000955 denotes brain
T99 21747-21752 http://www.ebi.ac.uk/efo/EFO_0000302 denotes brain
T100 21781-21782 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T101 21993-21997 http://purl.obolibrary.org/obo/UBERON_0000014 denotes skin
T102 21993-21997 http://purl.obolibrary.org/obo/UBERON_0001003 denotes skin
T103 21993-21997 http://purl.obolibrary.org/obo/UBERON_0002097 denotes skin
T104 21993-21997 http://purl.obolibrary.org/obo/UBERON_0002199 denotes skin
T105 21993-21997 http://www.ebi.ac.uk/efo/EFO_0000962 denotes skin
T106 22041-22042 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T107 22048-22052 http://purl.obolibrary.org/obo/UBERON_0000014 denotes skin
T108 22048-22052 http://purl.obolibrary.org/obo/UBERON_0001003 denotes skin
T109 22048-22052 http://purl.obolibrary.org/obo/UBERON_0002097 denotes skin
T110 22048-22052 http://purl.obolibrary.org/obo/UBERON_0002199 denotes skin
T111 22048-22052 http://www.ebi.ac.uk/efo/EFO_0000962 denotes skin
T112 22217-22218 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T113 22953-22954 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T114 23166-23169 http://purl.obolibrary.org/obo/CLO_0051582 denotes has
T115 23745-23746 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T116 24293-24294 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T117 24490-24491 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T118 24723-24724 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T119 24737-24738 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T120 25195-25196 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T121 26174-26177 http://purl.obolibrary.org/obo/CLO_0051582 denotes has
T122 26701-26702 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T123 27368-27369 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T124 27795-27799 http://purl.obolibrary.org/obo/CLO_0001387 denotes 4(c)
T125 28771-28772 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T126 28785-28786 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T127 28965-28967 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T128 28990-28992 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T129 29103-29104 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T130 29236-29237 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T131 29245-29247 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T132 29375-29377 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T133 29508-29534 http://purl.obolibrary.org/obo/GO_0043234 denotes proteins and their complex
T134 30074-30075 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T135 30151-30155 http://purl.obolibrary.org/obo/CLO_0001185 denotes 2018
T136 30178-30182 http://purl.obolibrary.org/obo/CLO_0001185 denotes 2018
T137 30233-30234 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T138 30283-30284 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T139 30596-30622 http://purl.obolibrary.org/obo/GO_0043234 denotes proteins and their complex
T140 30914-30915 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T141 30946-30947 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T142 31087-31088 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T143 31105-31121 http://purl.obolibrary.org/obo/CHEBI_33708 denotes protein residues
T144 31250-31256 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T145 31278-31279 http://purl.obolibrary.org/obo/CLO_0001020 denotes A
T146 31375-31376 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T147 31425-31426 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T148 31541-31547 http://purl.obolibrary.org/obo/BFO_0000030 denotes object
T149 31643-31644 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T150 31738-31739 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T151 32035-32036 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T152 32037-32038 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T153 32070-32071 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T154 32314-32315 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T155 32364-32365 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T156 32505-32507 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T157 32752-32753 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T158 32847-32848 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T159 33539-33541 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T160 34050-34051 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T161 34139-34140 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T162 34888-34889 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T163 34938-34939 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T164 35025-35027 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T165 35605-35606 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T166 35732-35740 http://purl.obolibrary.org/obo/CLO_0001658 denotes actively
T167 35800-35803 http://purl.obolibrary.org/obo/CLO_0051582 denotes has
T168 35804-35805 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T169 36163-36165 http://purl.obolibrary.org/obo/CLO_0008922 denotes S2
T170 36163-36165 http://purl.obolibrary.org/obo/CLO_0050052 denotes S2
T171 36772-36774 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T172 36973-36974 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T173 36975-36976 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T174 37274-37275 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T175 37324-37325 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T176 38200-38201 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T177 38268-38274 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T178 38594-38595 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T179 38926-38927 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T180 39024-39026 http://purl.obolibrary.org/obo/CLO_0008933 denotes S5
T181 39095-39096 http://purl.obolibrary.org/obo/CLO_0001020 denotes A
T182 39218-39220 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T183 39261-39269 http://purl.obolibrary.org/obo/CLO_0001658 denotes actively
T184 39326-39332 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T185 39362-39368 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T186 39600-39606 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T187 39680-39682 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T188 39724-39725 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T189 39934-39936 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T190 40068-40069 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T191 40196-40200 http://purl.obolibrary.org/obo/UBERON_0000473 denotes test
T192 40264-40265 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T193 40335-40343 http://purl.obolibrary.org/obo/CLO_0001658 denotes actively
T194 40814-40815 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T195 40853-40855 http://purl.obolibrary.org/obo/CLO_0007622 denotes MD
T196 41021-41027 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T197 41147-41153 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T198 41471-41476 http://purl.obolibrary.org/obo/NCBITaxon_9606 denotes Human
T199 41627-41636 http://www.ebi.ac.uk/efo/EFO_0000876 denotes extremely
T200 41705-41706 http://purl.obolibrary.org/obo/CLO_0001020 denotes a

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
22 453-458 Gene denotes spike Gene:43740568
23 534-538 Gene denotes Mpro Gene:8673700
24 1190-1194 Gene denotes Mpro Gene:8673700
25 1644-1648 Gene denotes Mpro Gene:8673700
26 1432-1436 Gene denotes Mpro Gene:8673700
27 1079-1083 Gene denotes Mpro Gene:8673700
28 162-209 Species denotes severe acute respiratory syndrome coronavirus 2 Tax:2697049
29 211-221 Species denotes SARS-CoV-2 Tax:2697049
30 442-452 Species denotes SARS-CoV-2 Tax:2697049
31 468-478 Species denotes SARS-CoV-2 Tax:2697049
32 497-507 Species denotes SARS-CoV-2 Tax:2697049
33 523-533 Species denotes SARS-CoV-2 Tax:2697049
34 847-857 Species denotes SARS-CoV-2 Tax:2697049
35 1087-1097 Species denotes SARS-CoV-2 Tax:2697049
36 1166-1176 Species denotes SARS-CoV-2 Tax:2697049
37 1784-1794 Species denotes SARS-CoV-2 Tax:2697049
38 1200-1208 Chemical denotes Piperine MESH:C008922
39 1314-1322 Chemical denotes Piperine MESH:C008922
40 1358-1366 Chemical denotes Piperine MESH:C008922
41 1405-1413 Chemical denotes Piperine MESH:C008922
42 1617-1625 Chemical denotes Piperine MESH:C008922
43 234-252 Disease denotes infectious disease MESH:D003141
79 2305-2336 Gene denotes angiotensin-converting enzyme 2 Gene:59272
80 2338-2342 Gene denotes ACE2 Gene:59272
81 2561-2565 Gene denotes ACE2 Gene:59272
82 2710-2715 Gene denotes spike Gene:43740568
83 2732-2736 Gene denotes ACE2 Gene:59272
84 2908-2912 Gene denotes ACE2 Gene:59272
85 3069-3073 Gene denotes Mpro Gene:8673700
86 2017-2064 Species denotes severe acute respiratory syndrome coronavirus 2 Tax:2697049
87 2066-2076 Species denotes SARS-CoV-2 Tax:2697049
88 2097-2108 Species denotes coronavirus Tax:11118
89 2299-2304 Species denotes human Tax:9606
90 2359-2404 Species denotes severe acute respiratory syndrome coronavirus Tax:694009
91 2406-2414 Species denotes SARS-CoV Tax:694009
92 2465-2475 Species denotes SARS-CoV-2 Tax:2697049
93 2479-2485 Species denotes humans Tax:9606
94 2555-2560 Species denotes human Tax:9606
95 2639-2644 Species denotes human Tax:9606
96 3043-3053 Species denotes SARS-CoV-2 Tax:2697049
97 3459-3469 Species denotes SARS-CoV-2 Tax:2697049
98 2998-3003 Gene denotes spike Gene:43740568
99 2512-2517 Gene denotes spike Gene:43740568
100 2164-2169 Gene denotes spike Gene:43740568
101 2518-2524 Chemical denotes glycol MESH:D006018
102 2755-2761 Chemical denotes ARG403
103 2763-2769 Chemical denotes TYR453
104 2771-2777 Chemical denotes SER494
105 2779-2785 Chemical denotes TYR495
106 2787-2793 Chemical denotes PHE497
107 2795-2801 Chemical denotes GLN498
108 2803-2809 Chemical denotes THR500
109 2811-2817 Chemical denotes ASN501
110 2819-2825 Chemical denotes TYR505
111 1879-1904 Disease denotes novel coronavirus disease MESH:C000657245
112 1911-1919 Disease denotes COVID-19 MESH:C000657245
113 3337-3345 Disease denotes toxicity MESH:D064420
128 3764-3771 Species denotes patient Tax:9606
129 4530-4540 Species denotes SARS-CoV-2 Tax:2697049
130 4668-4685 Species denotes novel coronavirus Tax:2697049
131 4081-4091 Chemical denotes remdesivir MESH:C000606551
132 4093-4111 Chemical denotes hydroxychloroquine MESH:D006886
133 4468-4478 Chemical denotes remdesivir MESH:C000606551
134 4480-4489 Chemical denotes lopinavir MESH:D061466
135 4491-4498 Chemical denotes emetine MESH:D004640
136 4503-4520 Chemical denotes homoharringtonine MESH:D000077863
137 4633-4643 Chemical denotes remdesivir MESH:C000606551
138 4648-4659 Chemical denotes chloroquine MESH:D002738
139 3755-3763 Disease denotes infected MESH:D007239
140 3939-3955 Disease denotes coronavirus-2019 MESH:C000657245
141 4047-4055 Disease denotes COVID-19 MESH:C000657245
155 6273-6277 Gene denotes Mpro Gene:8673700
156 5809-5813 Gene denotes Mpro Gene:8673700
157 6793-6797 Gene denotes Mpro Gene:8673700
158 6150-6154 Gene denotes Mpro Gene:8673700
159 5358-5364 Species denotes garlic Tax:4682
160 5530-5540 Species denotes SARS-CoV-2 Tax:2697049
161 5798-5808 Species denotes SARS-CoV-2 Tax:2697049
162 6139-6149 Species denotes SARS-CoV-2 Tax:2697049
163 6262-6272 Species denotes SARS-CoV-2 Tax:2697049
164 6758-6768 Species denotes SARS-CoV-2 Tax:2697049
165 6782-6792 Species denotes SARS-Cov-2 Tax:2697049
166 6019-6028 Chemical denotes alkaloids MESH:D000470
167 6033-6043 Chemical denotes terpenoids MESH:D013729
194 7211-7214 Gene denotes Pgp Gene:283871
195 7288-7292 Gene denotes Mpro Gene:8673700
196 7306-7321 Chemical denotes 2-Decenoic acid MESH:C052476
197 7391-7409 Chemical denotes α-Terpinyl acetate
198 7480-7489 Chemical denotes Capsaicin MESH:D002211
199 7559-7566 Chemical denotes Carvone MESH:C006923
200 7637-7651 Chemical denotes Cinnamaldehyde MESH:C012843
201 7721-7734 Chemical denotes Cuminaldehyde MESH:C007165
202 7804-7822 Chemical denotes Dipropyl disulfide MESH:C041288
203 7892-7902 Chemical denotes Eucalyptol MESH:D000077591
204 7972-7980 Chemical denotes Linalool MESH:C018584
205 8051-8059 Chemical denotes Vanillin MESH:C100058
206 8207-8223 Chemical denotes Sabinene hydrate MESH:C534325
207 8295-8303 Chemical denotes Piperine MESH:C008922
208 8374-8381 Chemical denotes Menthol MESH:D008610
209 8452-8459 Chemical denotes Eugenol MESH:D005054
210 8531-8540 Chemical denotes Estragole MESH:C007633
211 8612-8620 Chemical denotes Gingerol MESH:C007845
212 8769-8776 Chemical denotes Paradol MESH:C421614
213 8848-8857 Chemical denotes Zingerone MESH:C013738
214 9004-9018 Chemical denotes Bornyl acetate MESH:C071528
215 9251-9263 Chemical denotes 2-Undecanone MESH:C526928
216 9335-9350 Chemical denotes Geranyl acetate MESH:C432872
217 9421-9430 Chemical denotes Nerolidol MESH:C037055
218 9501-9514 Chemical denotes Terpinen-4-ol MESH:C034019
219 9586-9595 Chemical denotes Terpineol
225 10316-10324 Gene denotes RBD Spro
226 10329-10333 Gene denotes Mpro Gene:8673700
227 10260-10264 Gene denotes Mpro Gene:8673700
228 10225-10235 Species denotes SARS-CoV-2 Tax:2697049
229 10249-10259 Species denotes SARS-Cov-2 Tax:2697049
234 10621-10629 Chemical denotes hydrogen MESH:D006859
235 10659-10667 Chemical denotes hydrogen MESH:D006859
236 10716-10723 Chemical denotes octanol MESH:D000442
237 10724-10729 Chemical denotes water MESH:D014867
244 11354-11358 Gene denotes ACE2 Gene:59272
245 11039-11043 Gene denotes Mpro Gene:8673700
246 10993-11003 Species denotes SARS-CoV-2 Tax:2697049
247 11028-11038 Species denotes SARS-CoV-2 Tax:2697049
248 11274-11284 Species denotes SARS-Cov-2 Tax:2697049
249 11147-11152 Chemical denotes water MESH:D014867
256 12458-12462 Gene denotes Mpro Gene:8673700
257 12267-12271 Gene denotes Mpro Gene:8673700
258 12256-12266 Species denotes SARS-CoV-2 Tax:2697049
259 12369-12379 Species denotes SARS-CoV-2 Tax:2697049
260 12447-12457 Species denotes SARS-CoV-2 Tax:2697049
261 12471-12481 Species denotes SARS-CoV-2 Tax:2697049
269 13315-13319 Gene denotes Mpro Gene:8673700
270 13201-13205 Gene denotes Mpro Gene:8673700
271 13166-13176 Species denotes SARS-CoV-2 Tax:2697049
272 13190-13200 Species denotes SARS-CoV-2 Tax:2697049
273 13297-13310 Chemical denotes Spro-Piperine
274 13627-13632 Chemical denotes water MESH:D014867
275 14768-14776 Chemical denotes hydrogen MESH:D006859
277 15041-15045 Chemical denotes PBSA MESH:C437084
279 15989-15990 Chemical denotes S MESH:D013455
282 17354-17364 Species denotes SARS-CoV-2 Tax:2697049
283 17378-17382 Gene denotes Mpro Gene:8673700
286 18321-18326 Chemical denotes water MESH:D014867
287 18327-18336 Chemical denotes n-octanol MESH:D020003
290 19309-19317 Chemical denotes Vanillin MESH:C100058
291 19338-19347 Chemical denotes Nerolidol MESH:C037055
293 19554-19559 Chemical denotes Water MESH:D014867
296 20406-20411 Chemical denotes water MESH:D014867
297 20682-20686 Chemical denotes ESOL
306 22332-22338 Gene denotes CYP1A2 Gene:1544
307 22340-22347 Gene denotes CYP2C19 Gene:1557
308 22349-22355 Gene denotes CYP2C9 Gene:1559
309 22357-22363 Gene denotes CYP2D6 Gene:1565
310 22368-22374 Gene denotes CYP3A4 Gene:1576
311 22604-22608 Gene denotes Mpro Gene:8673700
312 22569-22579 Species denotes SARS-CoV-2 Tax:2697049
313 22593-22603 Species denotes SARS-CoV-2 Tax:2697049
315 22863-22873 Species denotes SARS-CoV-2 Tax:2697049
368 23100-23110 Species denotes SARS-CoV-2 Tax:2697049
369 24117-24127 Species denotes SARS-CoV-2 Tax:2697049
370 24178-24188 Species denotes SARS-CoV-2 Tax:2697049
371 23157-23165 Chemical denotes Piperine MESH:C008922
372 23280-23288 Chemical denotes Piperine MESH:C008922
373 23290-23299 Chemical denotes Capsaicin MESH:D002211
374 23301-23309 Chemical denotes Gingerol MESH:C007845
375 23314-23327 Chemical denotes Terpinen-4-ol MESH:C034019
376 23587-23595 Chemical denotes Piperine MESH:C008922
377 23633-23642 Chemical denotes Capsaicin MESH:D002211
378 23644-23651 Chemical denotes Ginerol
379 23656-23669 Chemical denotes Terpinen-4-ol MESH:C034019
380 23769-23777 Chemical denotes Piperine MESH:C008922
381 23797-23805 Chemical denotes hydrogen MESH:D006859
382 23828-23834 Chemical denotes GLY164
383 23839-23845 Chemical denotes GLY170
384 23847-23853 Chemical denotes TYR173
385 23855-23861 Chemical denotes TYR505
386 23867-23873 Chemical denotes SER162
387 23875-23881 Chemical denotes SER494
388 23920-23926 Chemical denotes carbon MESH:D002244
389 23927-23935 Chemical denotes hydrogen MESH:D006859
390 24054-24059 Chemical denotes ARG71
391 24061-24067 Chemical denotes TYR121
392 24069-24075 Chemical denotes TYR453
393 24078-24084 Chemical denotes TYR163
394 24086-24092 Chemical denotes TYR495
395 24098-24104 Chemical denotes ASN169
396 24106-24112 Chemical denotes ASN501
397 24164-24172 Chemical denotes Piperine MESH:C008922
398 24224-24232 Chemical denotes hydrogen MESH:D006859
399 24316-24325 Chemical denotes Capsaicin MESH:D002211
400 24354-24360 Chemical denotes GLY164
401 24365-24371 Chemical denotes TYR173
402 24373-24379 Chemical denotes TYR505
403 24398-24406 Chemical denotes hydrogen MESH:D006859
404 24453-24460 Chemical denotes benzene MESH:D001554
405 24508-24513 Chemical denotes ARG71
406 24515-24521 Chemical denotes ARG403
407 24524-24529 Chemical denotes ASP73
408 24531-24536 Chemical denotes GLU74
409 24538-24543 Chemical denotes GLN77
410 24545-24550 Chemical denotes LYS85
411 24552-24558 Chemical denotes TYR121
412 24560-24566 Chemical denotes TYR453
413 24569-24575 Chemical denotes SER162
414 24577-24583 Chemical denotes SER494
415 24586-24592 Chemical denotes TYR163
416 24594-24600 Chemical denotes TYR495
417 24606-24612 Chemical denotes ASN169
418 24614-24620 Chemical denotes ASN501
419 24671-24680 Chemical denotes Capsaicin MESH:D002211
425 24791-24801 Species denotes SARS-Cov-2 Tax:2697049
426 24726-24734 Chemical denotes Piperine MESH:C008922
427 24740-24749 Chemical denotes Capsaicin MESH:D002211
428 24755-24763 Chemical denotes Gingerol MESH:C007845
429 24772-24785 Chemical denotes Terpinen-4-ol MESH:C034019
465 24984-24994 Species denotes SARS-CoV-2 Tax:2697049
466 24919-24927 Chemical denotes Gingerol MESH:C007845
467 25032-25038 Chemical denotes GLY164
468 25040-25046 Chemical denotes ASN169
469 25048-25054 Chemical denotes ASN501
470 25060-25066 Chemical denotes GLY170
471 25087-25095 Chemical denotes hydrogen MESH:D006859
472 25118-25126 Chemical denotes Gingerol MESH:C007845
473 25143-25151 Chemical denotes hydrogen MESH:D006859
474 25169-25175 Chemical denotes TYR173
475 25177-25183 Chemical denotes TYR505
476 25233-25240 Chemical denotes benzene MESH:D001554
477 25249-25257 Chemical denotes Gingerol MESH:C007845
478 25264-25269 Chemical denotes ARG71
479 25271-25277 Chemical denotes ARG403
480 25280-25286 Chemical denotes TYR121
481 25288-25294 Chemical denotes TYR453
482 25297-25303 Chemical denotes TYR163
483 25305-25311 Chemical denotes TYR495
484 25314-25320 Chemical denotes PHE165
485 25322-25328 Chemical denotes PHE497
486 25334-25340 Chemical denotes GLN166
487 25342-25348 Chemical denotes GLN498
488 25407-25420 Chemical denotes Terpinen-4-ol MESH:C034019
489 25480-25486 Chemical denotes ARG125
490 25488-25494 Chemical denotes LYS126
491 25496-25502 Chemical denotes TYR141
492 25507-25513 Chemical denotes PRO159
493 25533-25539 Chemical denotes ARG122
494 25541-25547 Chemical denotes PHE124
495 25549-25555 Chemical denotes ASP135
496 25557-25563 Chemical denotes SER137
497 25565-25571 Chemical denotes GLU139
498 25576-25582 Chemical denotes ILE140
499 25631-25644 Chemical denotes Terpinen-4-ol MESH:C034019
501 25817-25827 Species denotes SARS-CoV-2 Tax:2697049
590 28684-28688 Gene denotes Mpro Gene:8673700
591 28148-28152 Gene denotes Mpro Gene:8673700
592 27874-27878 Gene denotes Mpro Gene:8673700
593 27717-27721 Gene denotes Mpro Gene:8673700
594 27242-27246 Gene denotes Mpro Gene:8673700
595 26791-26795 Gene denotes Mpro Gene:8673700
596 26233-26237 Gene denotes Mpro Gene:8673700
597 26051-26055 Gene denotes Mpro Gene:8673700
598 25908-25912 Gene denotes Mpro Gene:8673700
599 25897-25907 Species denotes SARS-CoV-2 Tax:2697049
600 26040-26050 Species denotes SARS-CoV-2 Tax:2697049
601 26222-26232 Species denotes SARS-CoV-2 Tax:2697049
602 26304-26314 Species denotes SARS-CoV-2 Tax:2697049
603 26780-26790 Species denotes SARS-CoV-2 Tax:2697049
604 27231-27241 Species denotes SARS-CoV-2 Tax:2697049
605 27706-27716 Species denotes SARS-CoV-2 Tax:2697049
606 27863-27873 Species denotes SARS-CoV-2 Tax:2697049
607 28137-28147 Species denotes SARS-Cov-2 Tax:2697049
608 28673-28683 Species denotes SARS-CoV-2 Tax:2697049
609 26165-26173 Chemical denotes Piperine MESH:C008922
610 26580-26588 Chemical denotes Piperine MESH:C008922
611 26607-26616 Chemical denotes Capsaicin MESH:D002211
612 26635-26642 Chemical denotes Carvone MESH:C006923
613 26661-26669 Chemical denotes Gingerol MESH:C007845
614 26744-26752 Chemical denotes Piperine MESH:C008922
615 26813-26821 Chemical denotes hydrogen MESH:D006859
616 26891-26897 Chemical denotes GLN299
617 26902-26908 Chemical denotes VAL303
618 26929-26937 Chemical denotes hydrogen MESH:D006859
619 26959-26965 Chemical denotes ASP295
620 26970-26976 Chemical denotes ARG298
621 27009-27013 Chemical denotes MET6
622 27018-27022 Chemical denotes PRO9
623 27073-27081 Chemical denotes Piperine MESH:C008922
624 27164-27168 Chemical denotes PHE8
625 27170-27176 Chemical denotes GLY127
626 27178-27184 Chemical denotes ILE152
627 27186-27192 Chemical denotes PHE291
628 27197-27203 Chemical denotes THR304
629 27261-27270 Chemical denotes Capsaicin MESH:D002211
630 27386-27390 Chemical denotes MET6
631 27392-27396 Chemical denotes PHE8
632 27398-27402 Chemical denotes PRO9
633 27407-27413 Chemical denotes ILE152
634 27499-27508 Chemical denotes Capsaicin MESH:D002211
635 27510-27519 Chemical denotes Capsaicin MESH:D002211
636 27549-27553 Chemical denotes ALA7
637 27555-27560 Chemical denotes GLY11
638 27562-27567 Chemical denotes LYS12
639 27569-27575 Chemical denotes GLN127
640 27577-27583 Chemical denotes TYR154
641 27585-27591 Chemical denotes PHE291
642 27593-27599 Chemical denotes ASP295
643 27601-27607 Chemical denotes ARG298
644 27609-27615 Chemical denotes GLN299
645 27617-27623 Chemical denotes VAL303
646 27628-27634 Chemical denotes THR304
647 27689-27696 Chemical denotes Carvone MESH:C006923
648 27802-27809 Chemical denotes Carvone MESH:C006923
649 27844-27848 Chemical denotes PHE8
650 27853-27859 Chemical denotes ARG298
651 27922-27926 Chemical denotes ALA7
652 27928-27932 Chemical denotes PRO9
653 27934-27940 Chemical denotes GLN127
654 27942-27948 Chemical denotes ASP295
655 27950-27956 Chemical denotes GLN299
656 27958-27964 Chemical denotes GLY302
657 27969-27975 Chemical denotes VAL303
658 28015-28022 Chemical denotes Carvone MESH:C006923
659 28024-28032 Chemical denotes Gingerol MESH:C007845
660 28050-28058 Chemical denotes hydrogen MESH:D006859
661 28168-28174 Chemical denotes VAL303
662 28198-28206 Chemical denotes hydrogen MESH:D006859
663 28229-28237 Chemical denotes Gingerol MESH:C007845
664 28252-28257 Chemical denotes LYS12
665 28262-28268 Chemical denotes THR304
666 28285-28291 Chemical denotes carbon MESH:D002244
667 28292-28300 Chemical denotes hydrogen MESH:D006859
668 28331-28335 Chemical denotes ALA7
669 28337-28341 Chemical denotes PHE8
670 28343-28349 Chemical denotes GLN127
671 28351-28357 Chemical denotes TYR154
672 28359-28365 Chemical denotes ASP295
673 28370-28376 Chemical denotes ARG298
674 28429-28437 Chemical denotes Gingerol MESH:C007845
675 28458-28466 Chemical denotes Gingerol MESH:C007845
676 28485-28489 Chemical denotes PRO9
677 28494-28500 Chemical denotes ILE152
684 28844-28848 Gene denotes Mpro Gene:8673700
685 28833-28843 Species denotes SARS-CoV-2 Tax:2697049
686 28774-28782 Chemical denotes Piperine MESH:C008922
687 28788-28797 Chemical denotes Capsaicin MESH:D002211
688 28803-28810 Chemical denotes Carvone MESH:C006923
689 28819-28827 Chemical denotes Gingerol MESH:C007845
692 29203-29207 Gene denotes Mpro Gene:8673700
693 29213-29221 Chemical denotes Piperine MESH:C008922
699 29716-29720 Gene denotes Mpro Gene:8673700
700 29725-29729 Gene denotes Mpro Gene:8673700
701 29540-29548 Chemical denotes Piperine MESH:C008922
702 29701-29714 Chemical denotes Spro-Piperine
703 29877-29885 Chemical denotes Piperine MESH:C008922
707 30286-30290 Gene denotes Mpro Gene:8673700
708 30303-30307 Gene denotes Mpro Gene:8673700
709 30261-30274 Chemical denotes Spro-Piperine
721 31009-31013 Gene denotes Mpro Gene:8673700
722 30922-30926 Gene denotes Mpro Gene:8673700
723 30734-30738 Gene denotes Mpro Gene:8673700
724 30725-30729 Gene denotes Mpro Gene:8673700
725 30431-30435 Gene denotes Mpro Gene:8673700
726 30524-30532 Chemical denotes Piperine MESH:C008922
727 30628-30636 Chemical denotes Piperine MESH:C008922
728 30710-30723 Chemical denotes Spro-Piperine
729 30890-30903 Chemical denotes Spro-Piperine
730 31201-31209 Chemical denotes Piperine MESH:C008922
731 31268-31276 Chemical denotes Piperine MESH:C008922
735 31428-31432 Gene denotes Mpro Gene:8673700
736 31445-31449 Gene denotes Mpro Gene:8673700
737 31403-31416 Chemical denotes Spro-Piperine
744 32133-32137 Gene denotes Mpro Gene:8673700
745 31905-31909 Gene denotes Mpro Gene:8673700
746 32175-32179 Gene denotes Mpro Gene:8673700
747 31914-31918 Gene denotes Mpro Gene:8673700
748 31890-31903 Chemical denotes Spro-Piperine
749 32264-32272 Chemical denotes Piperine MESH:C008922
756 32367-32371 Gene denotes Mpro Gene:8673700
757 32477-32481 Gene denotes Mpro Gene:8673700
758 32384-32388 Gene denotes Mpro Gene:8673700
759 32342-32355 Chemical denotes Spro-Piperine
760 32425-32433 Chemical denotes hydrogen MESH:D006859
761 32459-32472 Chemical denotes Spro-Piperine
763 32539-32547 Chemical denotes hydrogen MESH:D006859
776 32717-32721 Gene denotes Mpro Gene:8673700
777 33067-33071 Gene denotes Mpro Gene:8673700
778 32936-32940 Gene denotes Mpro Gene:8673700
779 32568-32576 Chemical denotes hydrogen MESH:D006859
780 32738-32746 Chemical denotes Piperine MESH:C008922
781 32777-32785 Chemical denotes hydrogen MESH:D006859
782 32875-32883 Chemical denotes hydrogen MESH:D006859
783 32918-32931 Chemical denotes Spro-Piperine
784 32979-32987 Chemical denotes hydrogen MESH:D006859
785 33045-33048 Chemical denotes RBD
786 33049-33062 Chemical denotes Spro-Piperine
787 33202-33210 Chemical denotes hydrogen MESH:D006859
794 33928-33932 Gene denotes Mpro Gene:8673700
795 33749-33753 Gene denotes Mpro Gene:8673700
796 34071-34081 Species denotes SARS-CoV-2 Tax:2697049
797 33731-33744 Chemical denotes Spro-Piperine
798 33893-33901 Chemical denotes Piperine MESH:C008922
799 34038-34046 Chemical denotes Piperine MESH:C008922
804 34534-34538 Gene denotes Mpro Gene:8673700
805 34525-34529 Gene denotes Mpro Gene:8673700
806 34131-34135 Chemical denotes SASA
807 34510-34523 Chemical denotes Spro-Piperine
811 34941-34945 Gene denotes Mpro Gene:8673700
812 34958-34962 Gene denotes Mpro Gene:8673700
813 34916-34929 Chemical denotes Spro-Piperine
819 35489-35493 Gene denotes Mpro Gene:8673700
820 36114-36118 Gene denotes Mpro Gene:8673700
821 35572-35576 Gene denotes Mpro Gene:8673700
822 35429-35442 Chemical denotes Spro-Piperine
823 36096-36109 Chemical denotes Spro-Piperine
831 36361-36365 Gene denotes Mpro Gene:8673700
832 36387-36398 Chemical denotes Chloroquine MESH:D002738
833 36411-36422 Chemical denotes Favipiravir MESH:C462182
834 36435-36453 Chemical denotes Hydroxychloroquine MESH:D006886
835 36466-36477 Chemical denotes Oseltamivir MESH:D053139
836 36490-36500 Chemical denotes Remdesivir MESH:C000606551
837 36513-36522 Chemical denotes Ribavirin MESH:D012254
840 36260-36270 Species denotes SARS-CoV-2 Tax:2697049
841 36211-36219 Chemical denotes Piperine MESH:C008922
846 36943-36946 Gene denotes PC2 Gene:3854
847 36935-36938 Gene denotes PC1 Gene:5167
848 37026-37030 Gene denotes Mpro Gene:8673700
849 37008-37021 Chemical denotes Spro-Piperine
856 37453-37457 Gene denotes Mpro Gene:8673700
857 37440-37444 Gene denotes Mpro Gene:8673700
858 37344-37348 Gene denotes Mpro Gene:8673700
859 37327-37331 Gene denotes Mpro Gene:8673700
860 37299-37312 Chemical denotes Spro-Piperine
861 37418-37431 Chemical denotes Spro-Piperine
865 38065-38069 Gene denotes Mpro Gene:8673700
866 37993-37997 Gene denotes Mpro Gene:8673700
867 37975-37988 Chemical denotes Spro-Piperine
896 39301-39305 Gene denotes Mpro Gene:8673700
897 39437-39441 Gene denotes ACE2 Gene:59272
898 39548-39552 Gene denotes ACE2 Gene:59272
899 39619-39623 Gene denotes Mpro Gene:8673700
900 39764-39768 Gene denotes Mpro Gene:8673700
901 39062-39066 Gene denotes Mpro Gene:8673700
902 38438-38442 Gene denotes Mpro Gene:8673700
903 38235-38239 Gene denotes Mpro Gene:8673700
904 38293-38303 Species denotes SARS-CoV-2 Tax:2697049
905 38446-38456 Species denotes SARS-CoV-2 Tax:2697049
906 39051-39061 Species denotes SARS-CoV-2 Tax:2697049
907 39868-39878 Species denotes SARS-CoV-2 Tax:2697049
908 38185-38193 Chemical denotes Piperine MESH:C008922
909 38355-38363 Chemical denotes Piperine MESH:C008922
910 38522-38530 Chemical denotes Piperine MESH:C008922
911 38623-38634 Chemical denotes chloroquine MESH:D002738
912 38636-38647 Chemical denotes favipiravir MESH:C462182
913 38649-38667 Chemical denotes hydroxychloroquine MESH:D006886
914 38669-38680 Chemical denotes oseltamivir MESH:D053139
915 38682-38692 Chemical denotes remdesivir MESH:C000606551
916 38697-38706 Chemical denotes ribavirin MESH:D012254
917 38820-38828 Chemical denotes Piperine MESH:C008922
918 39176-39184 Chemical denotes Piperine MESH:C008922
919 39252-39260 Chemical denotes Piperine MESH:C008922
920 39340-39348 Chemical denotes Piperine MESH:C008922
921 39462-39470 Chemical denotes Piperine MESH:C008922
922 39584-39592 Chemical denotes Piperine MESH:C008922
923 39709-39717 Chemical denotes Piperine MESH:C008922
939 41100-41104 Gene denotes MPro Gene:8673700
940 40732-40736 Gene denotes Mpro Gene:8673700
941 40954-40958 Gene denotes Mpro Gene:8673700
942 40396-40400 Gene denotes Mpro Gene:8673700
943 40039-40049 Species denotes SARS-CoV-2 Tax:2697049
944 40099-40105 Species denotes people Tax:9606
945 40372-40382 Species denotes SARS-CoV-2 Tax:2697049
946 40708-40718 Species denotes SARS-CoV-2 Tax:2697049
947 40930-40940 Species denotes SARS-Cov-2 Tax:2697049
948 41185-41195 Species denotes SARS-CoV-2 Tax:2697049
949 40620-40628 Chemical denotes Piperine MESH:C008922
950 40761-40769 Chemical denotes Piperine MESH:C008922
951 40916-40924 Chemical denotes Piperine MESH:C008922
952 41045-41053 Chemical denotes Piperine MESH:C008922
953 41132-41140 Chemical denotes Piperine MESH:C008922
1099 41821-41829 Disease denotes COVID-19 MESH:C000657245
1101 41830-41854 Disease denotes coronavirus disease 2019 MESH:C000657245
1103 41947-41952 Gene denotes spike Gene:43740568
1105 42051-42055 Chemical denotes ADME

LitCovid-PD-GO-BP

Id Subject Object Predicate Lexical cue
T1 270-276 http://purl.obolibrary.org/obo/GO_0040007 denotes growth
T2 358-375 http://purl.obolibrary.org/obo/GO_0019079 denotes viral replication
T3 358-375 http://purl.obolibrary.org/obo/GO_0019058 denotes viral replication
T4 394-425 http://purl.obolibrary.org/obo/GO_1900121 denotes inhibiting the receptor-binding
T5 632-645 http://purl.obolibrary.org/obo/GO_0006351 denotes transcription
T6 1604-1613 http://purl.obolibrary.org/obo/GO_0009058 denotes formation
T7 3211-3222 http://purl.obolibrary.org/obo/GO_0006412 denotes translation
T8 3315-3332 http://purl.obolibrary.org/obo/GO_0019079 denotes viral replication
T9 3315-3332 http://purl.obolibrary.org/obo/GO_0019058 denotes viral replication
T10 3605-3630 http://purl.obolibrary.org/obo/GO_1903901 denotes inhibit viral replication
T11 3613-3630 http://purl.obolibrary.org/obo/GO_0019079 denotes viral replication
T12 3613-3630 http://purl.obolibrary.org/obo/GO_0019058 denotes viral replication
T13 16731-16740 http://purl.obolibrary.org/obo/GO_0007610 denotes behaviour
T14 18026-18043 http://purl.obolibrary.org/obo/GO_0019079 denotes viral replication
T15 18026-18043 http://purl.obolibrary.org/obo/GO_0019058 denotes viral replication
T16 21365-21375 http://purl.obolibrary.org/obo/GO_0008152 denotes metabolism
T17 21377-21386 http://purl.obolibrary.org/obo/GO_0007588 denotes excretion
T18 22156-22167 http://purl.obolibrary.org/obo/GO_0045158 denotes cytochromes
T19 22156-22167 http://purl.obolibrary.org/obo/GO_0045157 denotes cytochromes
T20 22156-22167 http://purl.obolibrary.org/obo/GO_0045156 denotes cytochromes
T21 22156-22167 http://purl.obolibrary.org/obo/GO_0008121 denotes cytochromes
T22 22278-22288 http://purl.obolibrary.org/obo/GO_0008152 denotes metabolism
T23 22474-22485 http://purl.obolibrary.org/obo/GO_0009056 denotes degradation
T24 22664-22673 http://purl.obolibrary.org/obo/GO_0009058 denotes synthesis
T25 39640-39657 http://purl.obolibrary.org/obo/GO_0019079 denotes viral replication
T26 39640-39657 http://purl.obolibrary.org/obo/GO_0019058 denotes viral replication
T27 41072-41081 http://purl.obolibrary.org/obo/GO_0009058 denotes formation
T28 42082-42092 http://purl.obolibrary.org/obo/GO_0008152 denotes metabolism
T29 42094-42103 http://purl.obolibrary.org/obo/GO_0007588 denotes excretion

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T1 0-76 Sentence denotes In silico investigation of spice molecules as potent inhibitor of SARS-CoV-2
T2 77-79 Sentence denotes J.
T3 80-91 Sentence denotes Rout et al.
T4 92-138 Sentence denotes Journal of Biomolecular Structure and Dynamics
T5 140-148 Sentence denotes Abstract
T6 149-157 Sentence denotes Abstract
T7 158-277 Sentence denotes The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a novel infectious disease that is in rapid growth.
T8 278-353 Sentence denotes Several trials are going on worldwide to find a solution for this pandemic.
T9 354-540 Sentence denotes The viral replication can be blocked by inhibiting the receptor-binding domain (RBD) of SARS-CoV-2 spike protein (SARS-CoV-2 RBD Spro) and the SARS-CoV-2 main protease (SARS-CoV-2 Mpro).
T10 541-659 Sentence denotes The binding of potential small molecules to these proteins can inhibit the replication and transcription of the virus.
T11 660-762 Sentence denotes The spice molecules that are used in our food have antiviral, antifungal and antimicrobial properties.
T12 763-895 Sentence denotes As spice molecules are consumed in the diet, hence its antiviral properties against SARS-CoV-2 will benefit in a significant manner.
T13 896-1098 Sentence denotes Therefore, in this work, the molecular docking of 30 selected spice molecules (screened through ADME property) was performed to identify the potential inhibitors for the RBD Spro and Mpro of SARS-CoV-2.
T14 1099-1274 Sentence denotes We have found that though all the molecules bind actively with the SARS-CoV-2 RBD Spro and Mpro, but Piperine has the highest binding affinity among the 30 screened molecules.
T15 1275-1385 Sentence denotes Besides, the comparative study between Piperine and currently used drugs show that Piperine is more effective.
T16 1386-1508 Sentence denotes The interaction of Piperine with RBD Spro and Mpro is further validated by the molecular dynamics (MD) simulation studies.
T17 1509-1649 Sentence denotes The free energy landscape and binding free energy results also, support for the stable complex formation of Piperine with RBD Spro and Mpro.
T18 1650-1801 Sentence denotes We anticipate immediate wet-lab experiments and clinical trials in support of this computational study that might help to inhibit the SARS-CoV-2 virus.
T19 1802-1830 Sentence denotes Communicated by Ramaswamy H.
T20 1831-1836 Sentence denotes Sarma
T21 1838-1856 Sentence denotes Graphical Abstract
T22 1858-1860 Sentence denotes 1.
T23 1862-1874 Sentence denotes Introduction
T24 1875-1990 Sentence denotes The novel coronavirus disease 2019 (COVID-19) has become a major threat worldwide due to its fast-spreading nature.
T25 1991-2078 Sentence denotes This disease is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).
T26 2079-2205 Sentence denotes The entry of this coronavirus to the host cell is mediated through the transmembrane spike glycoproteins (Hasan et al., 2020).
T27 2206-2507 Sentence denotes This glycoprotein consists of two subunits and is reported to have a similar affinity to the human angiotensin-converting enzyme 2 (ACE2) as that of the severe acute respiratory syndrome coronavirus (SARS-CoV), which in turn results in efficient spreading of SARS-CoV-2 in humans (Walls et al., 2020).
T28 2508-2675 Sentence denotes The spike glycol protein binds to its receptor human ACE2 by its receptor-binding domain (RBD) and is activated proteolytically by human protease (Shang et al., 2020).
T29 2676-2876 Sentence denotes The interaction of the RBD of the spike glycoprotein to ACE2 is carried out by ARG403, TYR453, SER494, TYR495, PHE497, GLN498, THR500, ASN501, TYR505 residues of spike glycoprotein (Lan et al., 2020).
T30 2877-3019 Sentence denotes The interaction of RBD Spro to ACE2 can be inhibited by the small molecules that interact with the above residues of RBD spike protein (Spro).
T31 3020-3236 Sentence denotes On the other hand, the SARS-CoV-2 main protease (Mpro), also known as chymotrypsin-like protease, or 3-C-like protease (3CLpro), plays a vital role in processing the polyproteins through the translation of viral RNA.
T32 3237-3367 Sentence denotes This protease is reported to have a minimum of 11 cleavage sites resulting in viral replication and toxicity (Zhang et al., 2020).
T33 3368-3470 Sentence denotes The inhibition of these two viral targets can actively block the fusion and replication of SARS-CoV-2.
T34 3471-3656 Sentence denotes Currently, researchers are working globally for finding treatment for this disease in identifying a specific drug or vaccine that can inhibit viral replication at the earliest possible.
T35 3657-3973 Sentence denotes The devastation of this disease is vividly seen from the data on the WHO website, which shows the infected patient number more than 245 lakhs and casualties more than 8 lakhs, worldwide from 216 countries, and still, it is continuing (https://www.who.int/emergencies/diseases/novel-coronavirus-2019, 29 August 2020).
T36 3974-4189 Sentence denotes Currently, there are no approved drugs and vaccines for the treatment of COVID-19, but a few drugs such as remdesivir, hydroxychloroquine, etc. are under restricted use in case of emergency (Magagnoli et al., 2020).
T37 4190-4421 Sentence denotes Meanwhile, the computational tools, molecular docking and molecular dynamics (MD) have gained attention as essential tools to investigate potential inhibitor molecules (Anurag et al., 2020; Gupta et al., 2020; Sourav et al., 2020).
T38 4422-4573 Sentence denotes Choy et al. reported in-vitro studies showing remdesivir, lopinavir, emetine and homoharringtonine inhibits SARS-CoV-2 replication (Choy et al., 2020).
T39 4574-4706 Sentence denotes Similarly, Wang et al. reported the inhibition property of remdesivir and chloroquine against novel coronavirus (Wang et al., 2020).
T40 4707-4822 Sentence denotes In addition to different drug compounds, researchers also searched for natural molecules having antiviral activity.
T41 4823-4925 Sentence denotes Natural constituents from foods, spices, herbs are also being found to have anti-infective properties.
T42 4926-5126 Sentence denotes In this context, small active molecules present in natural products and their derivatives have gained tremendous attention as a source of therapeutic agents due to structural diversity for many years.
T43 5127-5331 Sentence denotes From 1940 to 2014, the US Food and Drug Administration (FDA) has approved about 49% of all small molecules that are natural products or derivates linked directly to those molecules (Newman & Cragg, 2016).
T44 5332-5475 Sentence denotes The compound of essential garlic oil, a spice used in food, is reported as an inhibitor using the molecular docking method (Thuy et al., 2020).
T45 5476-5642 Sentence denotes There are several recent studies on the inhibition of SARS-CoV-2 using many different natural and antiviral molecules (Al-Khafaji et al., 2020; Joshi et al., 2020; D.
T46 5643-5699 Sentence denotes Kumar, Kumari, et al., 2020; Muralidharan et al., 2020).
T47 5700-5836 Sentence denotes Recently, Das et al., using blind molecular docking, investigated for the potential inhibitors of SARS-CoV-2 Mpro (Sourav et al., 2020).
T48 5837-5983 Sentence denotes Molecules studied by Das et al. are drug molecules, antivirals, antifungals, anti-nematodals and anti-protozoals in addition to natural compounds.
T49 5984-6176 Sentence denotes Besides, natural molecules such as alkaloids and terpenoids from African medicinal plants were studied by Gyebi et al. for the inhibition property against SARS-CoV-2 Mpro (Gyebi et al., 2020).
T50 6177-6299 Sentence denotes Recently, Umesh et al. screened compounds from Indian spices as potent inhibitors of SARS-CoV-2 Mpro (Umesh et al., 2020).
T51 6300-6580 Sentence denotes Every spice has a particular aroma, colour and flavour due to the presence of specific molecules in them, and also, have antiviral properties (Aboubakr et al., 2016; Astani et al., 2010; Brochot et al., 2017; Chang et al., 2013; Choi, 2016; Mair et al., 2016; Zhang et al., 2014).
T52 6581-6848 Sentence denotes These properties of the spice molecules compel us to conduct the present study, where we investigated the inhibition property of molecules present in various spices against the SARS-CoV-2 RBD Spro and SARS-Cov-2 Mpro using molecular docking and MD simulation studies.
T53 6849-6950 Sentence denotes The compounds tested and their source of origin with PubChem ID are listed in Supplementary Table S1.
T54 6951-6959 Sentence denotes Table 1.
T55 6961-7094 Sentence denotes Predicted data of docking score, solubility, pharmacokinetics, drug-likeness and medicinal chemistry of the screened spice molecules.
T56 7095-7098 Sentence denotes Sl.
T57 7099-7102 Sentence denotes No.
T58 7104-7287 Sentence denotes Molecule Binding energy (kcal/mol) ESOL Log S Ali Log S Silicos-IT LogSw GI absorption BBB permeant Pgp substrate Log Kp (cm/s) Bioavailability score Synthetic accessibility
T59 7288-7302 Sentence denotes Mpro RBD Spro
T60 7303-7387 Sentence denotes 1 2-Decenoic acid –5.4 –4.6 –2.8 –4.23 –2.15 High Yes No –4.68 0.56 2.44
T61 7388-7476 Sentence denotes 2 α-Terpinyl acetate –5.5 –5.0 –3.35 –4.21 –2.36 High Yes No –4.69 0.55 3.13
T62 7477-7555 Sentence denotes 3 Capsaicin –6.4 –5.5 –3.53 –4.5 –4.87 High Yes No –5.62 0.55 2.32
T63 7556-7633 Sentence denotes 4 Carvone –6.2 –5.2 –2.41 –2.72 –2.16 High Yes No –5.29 0.55 3.33
T64 7634-7717 Sentence denotes 5 Cinnamaldehyde –5.7 –5.1 –2.17 –1.88 –2.4 High Yes No –5.76 0.55 1.65
T65 7718-7800 Sentence denotes 6 Cuminaldehyde –5.9 –5.1 –2.52 –2.37 –3.15 High Yes No –5.52 0.55 1.0
T66 7801-7888 Sentence denotes 7 Dipropyl disulfide –3.1 –3.0 –2.14 –3.42 –2.48 High Yes No –5.3 0.55 2.79
T67 7889-7968 Sentence denotes 8 Eucalyptol –5.2 –4.9 –2.52 –2.59 –2.45 High Yes No –5.3 0.55 3.65
T68 7969-8046 Sentence denotes 9 Linalool –5.5 –4.9 –2.4 –3.06 –1.84 High Yes No –5.13 0.55 2.74
T69 8047-8126 Sentence denotes 10 Vanillin –5.7 –4.8 –1.82 –1.78 –1.88 High Yes No –6.37 0.55 1.15
T70 8127-8202 Sentence denotes 11 Thymol –5.8 –5.3 –3.19 –3.4 –3.01 High Yes No –4.87 0.55 1.0
T71 8203-8290 Sentence denotes 12 Sabinene hydrate –5.2 –4.7 –2.07 –2.18 –1.91 High Yes No –5.74 0.55 2.82
T72 8291-8369 Sentence denotes 13 Piperine –7.3 –6.4 –3.74 –3.96 –3.0 High Yes No –5.58 0.55 2.92
T73 8370-8447 Sentence denotes 14 Menthol –5.6 –5.2 –2.88 –3.5 –1.48 High Yes No –4.84 0.55 2.63
T74 8448-8526 Sentence denotes 15 Eugenol –6.0 –5.0 –2.46 –2.53 –2.79 High Yes No –5.69 0.55 1.58
T75 8527-8607 Sentence denotes 16 Estragole –5.7 –4.8 –3.09 –3.24 –3.35 High Yes No –4.81 0.55 1.28
T76 8608-8687 Sentence denotes 17 Gingerol –6.1 –5.5 –2.96 –3.82 –4.58 High Yes No –6.14 0.55 2.81
T77 8688-8764 Sentence denotes 18 Shogaol –5.8 –5.4 –3.7 –4.67 –4.8 High Yes No –5.15 0.55 2.51
T78 8765-8843 Sentence denotes 19 Paradol –6.0 –4.6 –3.72 –4.79 –5.52 High Yes No –5.08 0.55 2.28
T79 8844-8921 Sentence denotes 20 Zingerone –6.0 –5.1 –1.8 –1.68 –3.1 High Yes No –6.7 0.55 1.52
T80 8922-8999 Sentence denotes 21 Borneol –5.7 –4.3 –2.51 –2.8 –1.91 High Yes No –5.31 0.55 3.43
T81 9000-9085 Sentence denotes 22 Bornyl acetate –5.3 –4.8 –3.63 –4.57 –2.58 High Yes No –4.44 0.55 3.64
T82 9086-9163 Sentence denotes 23 Citral –5.5 –4.7 –2.43 –3.05 –1.96 High Yes No –5.08 0.55 2.49
T83 9164-9246 Sentence denotes 24 Citronellal –4.8 –4.8 –2.88 –3.88 –2.33 High Yes No –4.52 0.55 2.57
T84 9247-9330 Sentence denotes 25 2-Undecanone –4.9 –4.3 –2.94 –4.15 –3.83 High Yes No –4.43 0.55 1.72
T85 9331-9416 Sentence denotes 26 Geranyl acetate –5.4 –4.8 –3.21 –4.3 –2.52 High Yes No –4.63 0.55 2.72
T86 9417-9496 Sentence denotes 27 Nerolidol –5.8 –5.0 –3.8 –4.99 –3.15 High Yes No –4.23 0.55 3.53
T87 9497-9581 Sentence denotes 28 Terpinen-4-ol –5.2 –5.5 –2.78 –3.36 –1.91 High Yes No –4.93 0.55 3.28
T88 9582-9662 Sentence denotes 29 Terpineol –5.7 –5.2 –2.87 –3.49 –1.69 High Yes No –4.83 0.55 3.24
T89 9663-9741 Sentence denotes 30 Decanal –4.7 –3.9 –2.67 –3.85 –3.44 High Yes No –4.56 0.55 1.62
T90 9743-9745 Sentence denotes 2.
T91 9747-9768 Sentence denotes Materials and methods
T92 9769-9890 Sentence denotes In general, molecular modelling is implemented as an essential tool for the prediction of drug–macromolecule interaction.
T93 9891-9993 Sentence denotes This technique helps to enhance the success rate of an experiment and cuts down the experimental cost.
T94 9994-10133 Sentence denotes Hence, the molecular docking study can help to analyse the possible binding pose of a small molecule on the active site of a macromolecule.
T95 10134-10265 Sentence denotes Here we used molecular docking to screen some biologically active spice molecules with the SARS-CoV-2 RBD Spro and SARS-Cov-2 Mpro.
T96 10266-10388 Sentence denotes The molecule with the highest binding affinity to RBD Spro and Mpro was subjected to MD simulation for further validation.
T97 10390-10394 Sentence denotes 2.1.
T98 10396-10443 Sentence denotes Drug-likeness properties of the small molecules
T99 10444-10562 Sentence denotes The property of the small molecules for drug-likeness was estimated using the Lipinski’s rule (Lipinski et al., 2001).
T100 10563-10784 Sentence denotes This rule works on five parameters viz. no more than five hydrogen bond donors, no more than 10 hydrogen bond acceptors, molecular mass <500 Da, and the octanol-water partition coefficient, i.e. log P should not exceed 5.
T101 10785-10905 Sentence denotes The Lipinski’s parameters were obtained by using the SwissADME server (www.swissadme.ch/index.php) (Daina et al., 2017).
T102 10907-10911 Sentence denotes 2.2.
T103 10913-10962 Sentence denotes Structure preparation of the proteins and ligands
T104 10963-11017 Sentence denotes The crystal structures of the SARS-CoV-2 Spro (PDB ID:
T105 11018-11052 Sentence denotes 6M0J) and SARS-CoV-2 Mpro (PDB ID:
T106 11053-11105 Sentence denotes 6Y84) were obtained from the RCSB protein data bank.
T107 11106-11224 Sentence denotes All the non-standard residues, including water, were removed from the PDB file using Chimera (Pettersen et al., 2004).
T108 11225-11290 Sentence denotes The RBD domain was obtained from the PDB file of SARS-Cov-2 Spro.
T109 11291-11399 Sentence denotes The RBD Spro residue sequence number before and after removing ACE2 is presented in Supplementary Figure S1.
T110 11400-11628 Sentence denotes The 3D conformers of the ligands were obtained from the PubChem and optimized using the steepest descent and conjugate gradient steps with General Amber Force Field (GAFF) (Wang et al., 2004) in Chimera (Pettersen et al., 2004).
T111 11629-11638 Sentence denotes Figure 1.
T112 11640-11745 Sentence denotes Predicted lipophilicity (Log P) values of the spice molecules obtained from different calculation models.
T113 11747-11751 Sentence denotes 2.3.
T114 11753-11776 Sentence denotes Molecular docking study
T115 11777-11914 Sentence denotes The prepared structures of the protein and ligand were subjected to molecular docking analysis using AutoDock Vina (Trott & Olson, 2010).
T116 11915-12010 Sentence denotes AutoDock Vina is the newest member of the AutoDock family that has improved speed and accuracy.
T117 12011-12154 Sentence denotes It uses a hybrid scoring function and a quasi-Newtonian optimization algorithm to find the lowest energy confirmations within the search space.
T118 12155-12272 Sentence denotes A grid box of 40 Å × 65 Å × 70 Å was built with the centre of the box at (11.98, 0.60, 4.79) for the SARS-CoV-2 Mpro.
T119 12273-12389 Sentence denotes A grid box of size 30 Å × 45 Å × 30 Å with centre at (−36.51, 30.69, 5.48) was prepared for the SARS-CoV-2 RBD Spro.
T120 12390-12567 Sentence denotes The exhaustiveness of search was set at 20 and 8 for the SARS-CoV-2 Mpro and the SARS-CoV-2 RBD Spro, respectively, to compensate for the larger box volume and reliable results.
T121 12568-12659 Sentence denotes The docked poses were ranked as per their binding affinities at the end of the docking run.
T122 12660-12801 Sentence denotes The ligand interactions of the best-docked poses at the active sites of the macromolecule were extracted using PyMol (Schrödinger LLC, 2017).
T123 12802-12912 Sentence denotes The ligand interactions were analysed using the 2D interaction plot in the Discovery Studio Visualizer (2005).
T124 12913-13050 Sentence denotes The Coulombic electrostatic potential surface was determined with the help of the APBS plugin available in PyMol (Schrödinger LLC, 2017).
T125 13052-13056 Sentence denotes 2.4.
T126 13058-13098 Sentence denotes Molecular dynamics (MD) simulation study
T127 13099-13374 Sentence denotes To verify the stability of the complex and interaction dynamics of SARS-CoV-2 RBD Spro and SARS-CoV-2 Mpro, we performed the MD simulation study of the two complexes with the highest docking score (Spro-Piperine and Mpro-Piperine), using GROMACS-5.1.5 (Abraham et al., 2015).
T128 13375-13468 Sentence denotes The CHARMM36 forcefield (Huang & MacKerell, 2013) was used for the simulation of the systems.
T129 13469-13578 Sentence denotes The topology parameters for the ligand molecule were obtained from CGenFF (Vanommeslaeghe & MacKerell, 2012).
T130 13579-13675 Sentence denotes A dodecahedron simulation box filled with TIP3P water model (Price & Brooks, 2004) was prepared.
T131 13676-13752 Sentence denotes Counter ions were added to maintain the electrical neutrality of the system.
T132 13753-13811 Sentence denotes The systems were kept at a buffer concentration of 0.15 M.
T133 13812-13913 Sentence denotes Then, the build systems were energy minimized with 50,000 steps using the steepest descent algorithm.
T134 13914-14054 Sentence denotes Then the systems were equilibrated under NVT and NPT ensembles for 100 ps at 300 K temperature and 1 atm pressure before the production run.
T135 14055-14147 Sentence denotes After the equilibration, a production run of 100 ns was incorporated under the NPT ensemble.
T136 14148-14310 Sentence denotes For long-range electrostatic interaction, particle mesh Ewald (PME) (Darden et al., 1993) and for van der Waals interactions, the force-switching scheme was used.
T137 14311-14541 Sentence denotes Besides, for temperature and pressure coupling, the Berendsen thermostat (Berendsen et al., 1984) with velocity rescaling and Parrinello-Rahman barostat (Parrinello & Rahman, 1981) with isotropic rescaling were used, respectively.
T138 14542-14634 Sentence denotes The simulation time step was set to 2 fs, and the trajectories were recorded at every 10 ps.
T139 14635-14840 Sentence denotes The simulation data were analysed by analysing the root mean square deviation (RMSD), root mean square fluctuation (RMSF), number of hydrogen bonds and radius of gyration (Rg) using Gromacs analysis tools.
T140 14841-14950 Sentence denotes The principal component analysis (PCA) was performed using the g_covar, g_anaeig and g_sham tools of Gromacs.
T141 14951-15030 Sentence denotes The data were exported to origin 9.0 and plotted for further analysis purposes.
T142 15032-15036 Sentence denotes 2.5.
T143 15038-15077 Sentence denotes Mm/PBSA binding free energy calculation
T144 15078-15239 Sentence denotes The method of calculation of binding free energy from MD trajectory snapshots using the molecular mechanics Poisson–Boltzmann surface area method is widely used.
T145 15240-15431 Sentence denotes The binding free energy of the systems was estimated by extracting the snaps from the last 20 ns of the MD simulation using g_mmpbsa tool of Gromacs (Baker et al., 2001; Kumari et al., 2014).
T146 15432-15563 Sentence denotes The binding free energy takes the contribution from vacuum potential energy, polar solvation energy and non-polar solvation energy.
T147 15564-15781 Sentence denotes The binding free energy can be represented as (1) ΔGbind=Gcomplex−(Gprotein+Gligand) where Gcomplex, Gprotein and Gligand are the total free energies of the complex, isolated protein and isolated ligand, respectively.
T148 15782-16018 Sentence denotes The free energy of the individual terms was estimated by (2) Gx=EMM−TS+Gsolvation where x is the complex, protein or ligand, and TS represents the entropic contribution to free energy in a vacuum with T and S as temperature and entropy.
T149 16019-16372 Sentence denotes The average molecular mechanics potential and solvation free energies were calculated by using Equations (3) and (4) (3) EMM=Ebonded+Enonbonded= Ebonded−(Eelec+Evdw) (4) Gsolvation=Gpolar+Gnonpolar where Ebonded takes the contribution from a bond, angle and dihedral terms and Enonbonded consists of electrostatic and van der Waals energy contributions.
T150 16373-16539 Sentence denotes The solvation energy includes the polar and non-polar solvation energies from the Poisson–Boltzmann equation and solvent accessible surface area (SASA), respectively.
T151 16541-16543 Sentence denotes 3.
T152 16545-16567 Sentence denotes Results and discussion
T153 16569-16573 Sentence denotes 3.1.
T154 16575-16631 Sentence denotes Molecular electrostatic potential (MEP) surface analysis
T155 16632-16755 Sentence denotes The electrostatic potential is an essential property for the review and prediction of the reactive behaviour of a molecule.
T156 16756-17007 Sentence denotes The study of the MEP surface can provide information about the active site of the macromolecule with the indication of relative ligand orientation and nature of the active site at which an approaching electrophile is attracted (Politzer et al., 1985).
T157 17008-17155 Sentence denotes In a biological macromolecule, the electrostatic potential surface is plotted by analysing the electron-rich and deficient regions of the molecule.
T158 17156-17319 Sentence denotes The detailed insight at the molecular label helps to predict the potentiality of the ligands to take part in chemical reactions and their mechanism of interaction.
T159 17320-17499 Sentence denotes The MEP surface representation of SARS-CoV-2 RBD Spro and Mpro ligand-binding sites with the simultaneous presence of all docked molecules are provided in Supplementary Figure S2.
T160 17500-17694 Sentence denotes The electronically poor regions (blue) are referred to as positive potential, whereas the dense electron regions (red) are at a negative potential, and the white zones are considered as neutral.
T161 17695-17869 Sentence denotes From the figure, it is observed that most of the selected molecules actively bound at the red regions that are referred to as highly negative electrostatic potential regions.
T162 17870-18044 Sentence denotes This implies that the molecules are polar and can actively take part in the binding process with stable interactions, which in turn could help to block the viral replication.
T163 18045-18054 Sentence denotes Figure 2.
T164 18056-18158 Sentence denotes Predicted solubility (Log S) values of the spice molecules obtained from different calculation models.
T165 18160-18164 Sentence denotes 3.2.
T166 18166-18179 Sentence denotes Lipophilicity
T167 18180-18316 Sentence denotes Lipophilicity or fat friendliness of a molecule defines the dissolving capability in fat, oil or any non-polar solvent (Lindsley, 2010).
T168 18317-18440 Sentence denotes The water n-octanol partition coefficient (log Po/w) is used as the measure of lipophilicity (Constantinescu et al., 2019).
T169 18441-18569 Sentence denotes Various computational methods are developed for the estimation of log Po/w for diverse performance upon different chemical sets.
T170 18570-18905 Sentence denotes The SwissADME provides five different predictive models such as XLOGP3 (Cheng et al., 2007), WLOGP (Wildman & Crippen, 1999), MLOGP (Moriguchi et al., 1992), SILICOS-IT (http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/software/filter-it/1.0.2/filter-it.html, 2016) and iLOGP (Daina et al., 2014) for better prediction accuracy.
T171 18906-19033 Sentence denotes Predicted lipophilicity (Log P) values of the spice molecules obtained from different calculation models are shown in Figure 1.
T172 19034-19267 Sentence denotes All the molecules subjected to lipophilicity test lie in the range of +1.2 to +4.19 of consensus value that obeys the Lipinski’s limit of log p < 5, which suggests they can be used for further clinical trials (Arnott & Planey, 2012).
T173 19268-19378 Sentence denotes The lowest lipophilicity is observed for Vanillin and the highest for Nerolidol, among the screened molecules.
T174 19379-19470 Sentence denotes From Figure 1, it is found that all the ligand molecules have positive lipophilicity value.
T175 19471-19546 Sentence denotes Hence, these molecules satisfy the essential criteria to be drug molecules.
T176 19548-19552 Sentence denotes 3.3.
T177 19554-19570 Sentence denotes Water solubility
T178 19571-19673 Sentence denotes Solubility (Log S) is the measure of homogeneity of the system from the mixture of solute and solvent.
T179 19674-19820 Sentence denotes It is considered as one of the vital parameters in drug concentration determination for a desired pharmacological response (Savjani et al., 2012).
T180 19821-19897 Sentence denotes Poor solubility of drugs is a major issue in drug discovery and development.
T181 19898-20034 Sentence denotes Solubility acts as a driving force to attain high drug concentration in blood for therapeutic effectiveness (Bergström & Larsson, 2018).
T182 20035-20128 Sentence denotes The drug solubility property of the proposed small molecules was obtained from the SwissADME.
T183 20129-20448 Sentence denotes The server used three solubility models, such as Ali (Ali et al., 2012), ESOL (Delaney, 2004) and Silicos-IT (http://silicos-it.be.s3-website-eu-west-1.amazonaws.com/software/filter-it/1.0.2/filter-it.html, 2016) that is comprised of different topological methods to check the water solubility of these small molecules.
T184 20449-20564 Sentence denotes The plot for solubility of the proposed small molecules based on these three different models is shown in Figure 2.
T185 20565-20766 Sentence denotes The Log S values obtained for the ligand molecules based on these three models are in the range of −1.8 to −3.94 for ESOL method, −1.68 to −4.99 for Ali method and −1.48 to −5.52 for Silicos-IT method.
T186 20767-20874 Sentence denotes The values from different models suggest to the moderately soluble to very soluble nature of the molecules.
T187 20875-21004 Sentence denotes The reference values of Log S for moderately soluble and highly soluble molecules range from −4 to −6 and −2 to −4, respectively.
T188 21005-21082 Sentence denotes The solubility values suggest for the oral administration of these molecules.
T189 21084-21088 Sentence denotes 3.4.
T190 21090-21116 Sentence denotes Pharmacokinetic properties
T191 21117-21252 Sentence denotes The pharmacokinetic property is the prime factor for the selection of a drug candidate that describes the drug disposition in the body.
T192 21253-21419 Sentence denotes The significant parameters that quantify the pharmacokinetics of a drug are its ADME (absorption, distribution, metabolism, excretion) properties (Jang et al., 2001).
T193 21420-21627 Sentence denotes All the molecules subjected to ADME tests are qualified for drug approval with their high value of gastrointestinal (GI) absorption (Daina & Zoete, 2016), which in turn implies for their use as an oral drug.
T194 21628-21710 Sentence denotes Table 1 represents the pharmacokinetic properties of the proposed drug candidates.
T195 21711-21848 Sentence denotes The passive GI absorption and blood–brain barrier (BBB) permeation is a fundamental criterion for the distribution of the drug molecules.
T196 21849-21974 Sentence denotes From Table 1, it is observed that all the ligand molecules are BBB permeant that implies their underlying distribution index.
T197 21975-22112 Sentence denotes The high negative skin permeable coefficient (Kp) values indicate a less skin permeability that is useful for their transdermal delivery.
T198 22113-22289 Sentence denotes The interaction of the drug molecules with cytochromes P450 (CYP) is an essential property as they play a crucial role in drug elimination through biotransformation metabolism.
T199 22290-22609 Sentence denotes The noninhibition of CYP isoforms such as CYP1A2, CYP2C19, CYP2C9, CYP2D6 and CYP3A4 disclose that these molecules are not the substrate for these enzymes that resembles for the lower degradation rate of these molecules, which will make it effectively available for blocking the SARS-CoV-2 RBD Spro and SARS-CoV-2 Mpro.
T200 22610-22693 Sentence denotes The synthetic accessibility values suggest the facile synthesis of these molecules.
T201 22694-22805 Sentence denotes All these parameters infer these close to drug-like molecules, which may be used as successful drug candidates.
T202 22807-22811 Sentence denotes 3.5.
T203 22813-22836 Sentence denotes Molecular docking study
T204 22838-22844 Sentence denotes 3.5.1.
T205 22846-22911 Sentence denotes Docking study of SARS-CoV-2 receptor-binding domain spike protein
T206 22912-23120 Sentence denotes In addition to the above investigations, a molecular docking study was performed to estimate the binding affinity and their binding pose of the ligand molecules at the binding site of the SARS-CoV-2 RBD Spro.
T207 23121-23232 Sentence denotes From the study, it is observed that Piperine has the highest interaction affinity among the screened compounds.
T208 23233-23482 Sentence denotes The docked poses of the four ligand molecules (Piperine, Capsaicin, Gingerol and Terpinen-4-ol) along with their 2D interaction diagram having the highest binding affinity, among the selected molecules, are presented in descending order in Figure 3.
T209 23483-23730 Sentence denotes From Table 1, it is observed that these four molecules follow the trend for their binding affinity with Piperine (−6.4 kcal/mol) at the highest, then Capsaicin, Ginerol and Terpinen-4-ol (all having −5.5 kcal/mol) among all the selected molecules.
T210 23731-23846 Sentence denotes From Figure 3(a), it is observed that Piperine is associated with hydrogen bond interaction with GLY164 and GLY170.
T211 23847-23968 Sentence denotes TYR173 (TYR505) and SER162 (SER494) are involved with pi–pi T-shaped and carbon-hydrogen bond interactions, respectively.
T212 23969-24137 Sentence denotes The binding process is also governed by van der Waals interactions with the residues ARG71, TYR121 (TYR453), TYR163 (TYR495) and ASN169 (ASN501) of SARS-CoV-2 RBD Spro.
T213 24138-24315 Sentence denotes Hence, the interaction of Piperine with SARS-CoV-2 RBD Spro is stabilized by covalent hydrogen bonding, pi–pi T-shaped and van der Waals interactions with a good affinity score.
T214 24316-24494 Sentence denotes Capsaicin interacts with the residues GLY164 and TYR173 (TYR505) through pi-Donor hydrogen bond and pi–pi T-shaped interactions with the benzene ring, respectively (Figure 3(b)).
T215 24495-24681 Sentence denotes The residues ARG71 (ARG403), ASP73, GLU74, GLN77, LYS85, TYR121 (TYR453), SER162 (SER494), TYR163 (TYR495) and ASN169 (ASN501) are involved with van der Waals interaction with Capsaicin.
T216 24682-24691 Sentence denotes Figure 3.
T217 24693-24844 Sentence denotes Lowest energy docked pose of (a) Piperine, (b) Capsaicin, (c) Gingerol and (d) Terpinen-4-ol with SARS-Cov-2 RBD Spro and their 2D interaction diagram.
T218 24845-24899 Sentence denotes The colour codes represent the nature of interactions.
T219 24900-25018 Sentence denotes On the other hand, Gingerol is stabilized by various kinds of interactions with the SARS-CoV-2 RBD Spro (Figure 3(c)).
T220 25019-25127 Sentence denotes The residues GLY164, ASN169 (ASN501) and GLY170 are associated with hydrogen bond interaction with Gingerol.
T221 25128-25402 Sentence denotes Other than the hydrogen bond interaction TYR173 (TYR505) is having a pi–pi T-shaped interaction with the benzene ring of Gingerol while ARG71 (ARG403), TYR121 (TYR453), TYR163 (TYR495), PHE165 (PHE497) and GLN166 (GLN498) residues are involved in van der Waals interactions.
T222 25403-25659 Sentence denotes The Terpinen-4-ol is stabilized by hydrophobic interaction with the residues ARG125, LYS126, TYR141 and PRO159 while the residues ARG122, PHE124, ASP135, SER137, GLU139 and ILE140 are involved in van der Waals interactions with Terpinen-4-ol (Figure 3(d)).
T223 25660-25790 Sentence denotes The lowest energy poses of the rest 26 molecules along with their 2D interaction diagrams are provided in Supplementary Figure S3.
T224 25792-25798 Sentence denotes 3.5.2.
T225 25800-25841 Sentence denotes Docking study of SARS-CoV-2 main protease
T226 25842-25965 Sentence denotes The above-selected molecules were also docked with the SARS-CoV-2 Mpro to observe the inhibitory effect of these molecules.
T227 25966-26086 Sentence denotes The docking study reveals that all the molecules are interacting with the SARS-CoV-2 Mpro with certain binding affinity.
T228 26087-26134 Sentence denotes The docking data are also presented in Table 1.
T229 26135-26324 Sentence denotes From Table 1, it is seen that Piperine has the highest affinity at the binding site of SARS-CoV-2 Mpro among all the selected molecules, which is similar to the case of SARS-CoV-2 RBD Spro.
T230 26325-26516 Sentence denotes The ΔG value, known as binding free energy, for the four molecules having the highest affinity among all the selected molecules, along with their 2D interaction diagram, is given in Figure 4.
T231 26517-26686 Sentence denotes The four molecules have followed the binding affinity trend as Piperine (−7.3 kcal/mol) > Capsaicin (−6.4 kcal/mol) > Carvone (−6.2 kcal/mol) > Gingerol (−6.1 kcal/mol).
T232 26687-26877 Sentence denotes From Figure 4(a), it is observed that the interaction of Piperine at the binding site of the SARS-CoV-2 Mpro is stabilized by hydrogen bonding, electrostatics and van der Waals interactions.
T233 26878-27082 Sentence denotes The residues GLN299 and VAL303 are associated with hydrogen bonding interaction; ASP295 and ARG298 with charged interactions while MET6 and PRO9 are associated with hydrophobic interactions with Piperine.
T234 27083-27247 Sentence denotes The molecule is also stabilized through van der Waals interactions with residues PHE8, GLY127, ILE152, PHE291 and THR304 at the binding site of the SARS-CoV-2 Mpro.
T235 27248-27372 Sentence denotes The molecule Capsaicin is stabilized in the binding pocket through van der Waals and hydrophobic interactions (Figure 4(b)).
T236 27373-27509 Sentence denotes The residues MET6, PHE8, PRO9 and ILE152 are interacting through hydrophobic interactions such as alkyl and pi–alkyl with the Capsaicin.
T237 27510-27669 Sentence denotes Capsaicin is interacting with residues ALA7, GLY11, LYS12, GLN127, TYR154, PHE291, ASP295, ARG298, GLN299, VAL303 and THR304 through van der Waals interaction.
T238 27670-27801 Sentence denotes The interaction of Carvone with the SARS-CoV-2 Mpro is stabilized through hydrophobic and van der Walls interactions (Figure 4(c)).
T239 27802-27908 Sentence denotes Carvone interacts with the residues MET6, PHE8 and ARG298 of SARS-CoV-2 Mpro through hydrophobic contacts.
T240 27909-28023 Sentence denotes The residues ALA7, PRO9, GLN127, ASP295, GLN299, GLY302 and VAL303 are in van der Waals interactions with Carvone.
T241 28024-28167 Sentence denotes Gingerol is stabilized by hydrogen bond, hydrophobic and van der Waals interactions in the binding pocket of the SARS-Cov-2 Mpro (Figure 4(d)).
T242 28168-28238 Sentence denotes VAL303 is interacting through hydrogen bond interaction with Gingerol.
T243 28239-28438 Sentence denotes The residues LYS12 and THR304 are involved in carbon-hydrogen bond interactions while MET6, ALA7, PHE8, GLN127, TYR154, ASP295 and ARG298 are associated with van der Waals interactions with Gingerol.
T244 28439-28545 Sentence denotes The interaction of Gingerol with the residues PRO9 and ILE152 is stabilized through pi–alkyl interactions.
T245 28546-28729 Sentence denotes The lowest energy binding poses of the rest 26 molecules along with the ligand interaction diagram at the binding sites of the SARS-CoV-2 Mpro are provided in Supplementary Figure S4.
T246 28730-28739 Sentence denotes Figure 4.
T247 28741-28882 Sentence denotes Lowest energy docked pose of (a) Piperine, (b) Capsaicin, (c) Carvone and (d) Gingerol with SARS-CoV-2 Mpro and their 2D interaction diagram.
T248 28883-28937 Sentence denotes The colour codes represent the nature of interactions.
T249 28939-28943 Sentence denotes 3.6.
T250 28945-28985 Sentence denotes Molecular dynamics (MD) simulation study
T251 28986-29164 Sentence denotes The MD simulation is one of the proven in-silico methods for the determination of protein–ligand dynamics concerning a high temporal resolution of nanosecond or picosecond order.
T252 29165-29310 Sentence denotes Here the docked poses of RBD Spro and Mpro with Piperine were used for a 100 ns MD simulation to analyse the stability of these docked compounds.
T253 29312-29318 Sentence denotes 3.6.1.
T254 29320-29353 Sentence denotes Root mean square deviation (RMSD)
T255 29354-29455 Sentence denotes The RMSD values from MD simulation provide information about structural and conformational stability.
T256 29456-29549 Sentence denotes Figure 5 represents the backbone RMSD data of viral proteins and their complex with Piperine.
T257 29550-29659 Sentence denotes From the plot, it is observed that both the simulations have less fluctuation throughout the simulation time.
T258 29660-29845 Sentence denotes The average RMSD values of RBD Spro, RBD Spro-Piperine, Mpro and Mpro-Piperine are calculated as 0.143 ± 0.025 nm, 0.130 ± 0.018 nm, 0.212 ± 0.041 nm and 0.203 ± 0.028 nm, respectively.
T259 29846-29998 Sentence denotes The average RMSD values of the Piperine bound proteins as compared to only proteins are found to be less representing to their conformational stability.
T260 29999-30184 Sentence denotes Both the simulations are attained equilibrium within 0.3 nm, which is also a measure of the systems’ stability during the simulation (Al-Shabib et al., 2018, 2020; Millan et al., 2018).
T261 30185-30194 Sentence denotes Figure 5.
T262 30196-30324 Sentence denotes Root mean square deviation plots of (a) RBD Spro (black) and RBD Spro-Piperine (red); (b) Mpro (black) and Mpro-Piperine (blue).
T263 30326-30332 Sentence denotes 3.6.2.
T264 30334-30369 Sentence denotes Root mean square fluctuation (RMSF)
T265 30370-30551 Sentence denotes The conformational fluctuations of the proteins RBD Spro and Mpro were analysed by observing the residual changes that resulted due to the interaction of Piperine with the proteins.
T266 30552-30659 Sentence denotes The RMSF plots of the Cα atoms of the viral proteins and their complex with Piperine are shown in Figure 6.
T267 30660-30865 Sentence denotes From the analysis, it is found that RBD Spro, RBD Spro-Piperine, Mpro and Mpro-Piperine have the average RMSF values 0.099 ± 0.060 nm, 0.097 ± 0.051 nm, 0.119 ± 0.077 nm and 0.120 ± 0.077 nm, respectively.
T268 30866-31065 Sentence denotes It is observed that RBD Spro-Piperine (Figure 6(a)) and Mpro-Piperine (Figure 6(b)) show similar fluctuations as compared to only RBD Spro and Mpro, which implies to the stability of these compounds.
T269 31066-31168 Sentence denotes In addition to that, a majority of the protein residues are found to be stabilized within RMSF 0.3 nm.
T270 31169-31280 Sentence denotes The decrease in fluctuations of Piperine bound to RBD Spro also suggests for the active binding of Piperine (A.
T271 31281-31312 Sentence denotes Kumar, Choudhir, et al., 2020).
T272 31313-31322 Sentence denotes Figure 6.
T273 31324-31466 Sentence denotes Root mean square fluctuation plots of Cα-atoms of (a) RBD Spro (black) and RBD Spro-Piperine (red); (b) Mpro (black) and Mpro-Piperine (blue).
T274 31468-31474 Sentence denotes 3.6.3.
T275 31476-31499 Sentence denotes Radius of gyration (Rg)
T276 31500-31616 Sentence denotes The root mean square distance between an object and the centre of gravity is defined as the radius of gyration (Rg).
T277 31617-31841 Sentence denotes The radius of gyration is a measure of the compactness of the protein structure, where higher Rg value is referred to as a less compact structure, and low Rg value is inferred as high compactness that implies more stability.
T278 31842-32020 Sentence denotes The measured average Rg values of RBD Spro, RBD Spro-Piperine, Mpro and Mpro-Piperine are 1.829 ± 0.008 nm, 1.833 ± 0.010 nm, 2.233 ± 0.012 nm and 2.238 ± 0.013 nm, respectively.
T279 32021-32273 Sentence denotes From Figure 7(a,b), it is observed that there is a little enhancement in the Rg values of RBD Spro-Piperin, and Mpro-Piperine as compared to RBD Spro and Mpro, which implies to the gain in compactness of the protein structures upon binding to Piperine.
T280 32274-32283 Sentence denotes Figure 7.
T281 32285-32519 Sentence denotes Radius of gyration plots of (a) RBD Spro (black) and RBD Spro-Piperine (red); (b) Mpro (black) and Mpro-Piperine (blue); (c) Intermolecular hydrogen bonds formed between RBD Spro-Piperine and Mpro-Piperine during 100 ns MD simulation.
T282 32521-32527 Sentence denotes 3.6.4.
T283 32529-32553 Sentence denotes Number of hydrogen bonds
T284 32554-32693 Sentence denotes The number of hydrogen bonds formed between the protein–ligand complex is the measure of the binding strength of the ligand to the protein.
T285 32694-32837 Sentence denotes The RBD Spro (red) and Mpro (blue) bound to Piperine have a constant number of 1–2 hydrogen bonds throughout the simulation time (Figure 7(c)).
T286 32838-32964 Sentence denotes There is a maximum number of 3 and 4 hydrogen bonds observed in the case of RBD Spro-Piperine and Mpro-Piperine, respectively.
T287 32965-33180 Sentence denotes The number of hydrogen bonds fluctuates throughout the simulation time for both RBD Spro-Piperine and Mpro-Piperine, which suggests for conformational changes in the binding site of the ligand during the simulation.
T288 33181-33299 Sentence denotes The observation from hydrogen bond analysis indicates that the complexes are stable for the performed simulation time.
T289 33301-33307 Sentence denotes 3.6.5.
T290 33309-33327 Sentence denotes Interaction energy
T291 33328-33424 Sentence denotes The interaction energy is the measure of the interaction strength of the protein–ligand complex.
T292 33425-33567 Sentence denotes In order to validate the results of molecular docking studies, the analysis of the interaction free energies from MD simulation was performed.
T293 33568-33690 Sentence denotes The average interaction energy takes the contribution from the average short-range Lennard-Jones and van der Waals energy.
T294 33691-33847 Sentence denotes The average interaction energies of RBD Spro-Piperine and Mpro-Piperine are found to be − 41.401 ± 17.843 kJ/mol and −143.162 ± 23.043 kJ/mol, respectively.
T295 33848-34082 Sentence denotes These interaction energy values suggest that Piperine binds to the RBD Spro and Mpro with good affinity and hence supports the docking results, which in turn helps for the favourable use of Piperine as a drug candidate for SARS-CoV-2.
T296 34084-34090 Sentence denotes 3.6.6.
T297 34092-34130 Sentence denotes Solvent accessible surface area (SASA)
T298 34131-34223 Sentence denotes SASA is a measure of the receptor exposure to the solvent environment during the simulation.
T299 34224-34362 Sentence denotes The hydrophobic residues that got exposed to the solvent environment upon binding with the ligand molecules contribute to the SASA values.
T300 34363-34454 Sentence denotes The plot of the SASA for the proteins and their ligand-bound form is presented in Figure 8.
T301 34455-34652 Sentence denotes The analysed average SASA values for the RBD Spro, RBD Spro-Piperine, Mpro and Mpro-Piperine are 106.976 ± 1.602 nm2, 107.235 ± 1.667 nm2, 150.698 ± 2.565 nm2 and 151.022 ± 2.207 nm2, respectively.
T302 34653-34827 Sentence denotes There is no significant change observed for the averaged SASA values of the complex as compared to only protein suggesting their stability after binding to the drug molecule.
T303 34828-34837 Sentence denotes Figure 8.
T304 34839-34979 Sentence denotes Solvent accessible surface area (SASA) plots of (a) RBD Spro (black) and RBD Spro-Piperine (red); (b) Mpro (black) and Mpro-Piperine (blue).
T305 34981-34987 Sentence denotes 3.6.7.
T306 34989-35024 Sentence denotes MMPBSA binding free energy analysis
T307 35025-35123 Sentence denotes MD simulation can also be used to calculate the binding free energy of the protein–ligand complex.
T308 35124-35270 Sentence denotes The binding free energy is the measure of the stability of the system in turns of consistency of nonbonded interactions throughout the simulation.
T309 35271-35378 Sentence denotes The binding free energy was calculated by using MMPBSA method by taking 2000 snapshots from the trajectory.
T310 35379-35529 Sentence denotes The computed value of binding free energy for RBD Spro-Piperine is found to be −5.533 ± 0.839 kJ/mol, and for Mpro-Piperine is −37.971 ± 0.271 kJ/mol.
T311 35530-35647 Sentence denotes It is observed that for both RBD Spro and Mpro, van der Waals energy plays a crucial role in the interaction process.
T312 35648-35773 Sentence denotes The van der Waals energy, electrostatic energy and non-polar energy are contributed actively to the total interaction energy.
T313 35774-35861 Sentence denotes In contrast, polar energy has a positive contribution to the whole interaction process.
T314 35862-36015 Sentence denotes The observed data indicate that the van der Waals, electrostatic and non-polar interactions combinedly contribute to the stability of both the compounds.
T315 36016-36166 Sentence denotes The contribution from different interactions to the binding free energy for RBD Spro-Piperine and Mpro-Piperine is provided in Supplementary Table S2.
T316 36167-36175 Sentence denotes Table 2.
T317 36177-36312 Sentence denotes Lowest energy binding affinity of Piperine and few of the currently used drugs for SARS-CoV-2 as obtained from molecular docking study.
T318 36313-36350 Sentence denotes Molecule Binding affinity (kcal/mol)
T319 36351-36365 Sentence denotes RBD Spro Mpro
T320 36366-36386 Sentence denotes Piperine –6.4 –7.3
T321 36387-36410 Sentence denotes Chloroquine –5.0 –4.9
T322 36411-36434 Sentence denotes Favipiravir –5.3 –5.6
T323 36435-36465 Sentence denotes Hydroxychloroquine –4.8 –6.0
T324 36466-36489 Sentence denotes Oseltamivir –5.1 –5.5
T325 36490-36512 Sentence denotes Remdesivir –6.1 –7.2
T326 36513-36534 Sentence denotes Ribavirin –5.6 –6.1
T327 36536-36542 Sentence denotes 3.6.8.
T328 36544-36578 Sentence denotes Principal component analysis (PCA)
T329 36579-36668 Sentence denotes The PCA is an essential technique to monitor the conformational dynamics of biomolecules.
T330 36669-36788 Sentence denotes It is useful in determining the concerted motion of protein as well as protein–ligand complex from the MD trajectories.
T331 36789-36958 Sentence denotes The diagonalization of the covariance matrix of backbone atoms of the proteins and ligand-bound form were considered for the principal components PC1 and PC2 (Figure 9).
T332 36959-37135 Sentence denotes From Figure 9(a,b), it is observed that both the Spro-Piperine and Mpro-Piperine are less flexible as compared to unbound proteins since they covered less conformational space.
T333 37136-37229 Sentence denotes It concludes that the ligand-bound forms are more stable as compared to the unbound proteins.
T334 37230-37239 Sentence denotes Figure 9.
T335 37241-37365 Sentence denotes Principal component analysis of (a) RBD Spro (black), RBD Spro-Piperine (red) and (b) Mpro (black) and Mpro-Piperine (blue).
T336 37366-37467 Sentence denotes Free energy landscape plot of (c) RBD Spro, (d) RBD Spro-Piperine and (e) Mpro and (f) Mpro-Piperine.
T337 37468-37683 Sentence denotes The principal components obtained were used as the reaction coordinates to find the Gibbs free energy landscape (Figure 9) to visualize the energy minima of the unbound protein as well as the protein–ligand complex.
T338 37684-37899 Sentence denotes From Figure 9(c–f), it is observed that both the ligand-bound proteins have less Gibbs-free energy values than the unbound proteins indicating their stability and energetically favourable conformational transitions.
T339 37900-38147 Sentence denotes The shape and size of the minimum energy area (blue colour) in case of RBD Spro-Piperine and Mpro-Piperine are more as compared to the unbound proteins RBD Spro and Mpro, which suggests the ligand-bound forms are thermodynamically more favourable.
T340 38148-38304 Sentence denotes The comprehensive study reveals that Piperine forms a stable complex with RBD Spro and Mpro and can be considered as an active inhibitor against SARS-CoV-2.
T341 38305-38489 Sentence denotes From the docking results, it is observed that the Piperine molecule is the best candidate for the inhibition of the RBD Spro and the Mpro of SARS-CoV-2 among the selected 30 molecules.
T342 38490-38778 Sentence denotes To observe the effectiveness of Piperine over currently used drugs, we carried out the docking study of a few drug molecules such as chloroquine, favipiravir, hydroxychloroquine, oseltamivir, remdesivir and ribavirin using the same docking protocol as followed for the 30 spice molecules.
T343 38779-38899 Sentence denotes From the docking score, it is found that Piperine performed better as compared to the currently used drugs stated above.
T344 38900-39094 Sentence denotes The lowest energy pose of a few presently used drugs with their 2D interaction diagram is provided in Supplementary Figures S5 and S6 corresponding to SARS-CoV-2 Mpro and RBD Spro, respectively.
T345 39095-39213 Sentence denotes A comparison of the lowest energy dock scores of these drug molecules along with Piperine is also provided in Table 2.
T346 39214-39339 Sentence denotes The MD simulation results reveal that Piperine actively inhibits both the RBD Spro and Mpro by binding to their active sites.
T347 39340-39442 Sentence denotes Piperine binds on the active site of the RBD Spro with those residues by which it interacts with ACE2.
T348 39443-39553 Sentence denotes So, the binding of Piperine on that site may potentially cease the interaction tendency of RBD Spro with ACE2.
T349 39554-39658 Sentence denotes Similarly, the interaction of Piperine on the active site of the Mpro may inhibit its viral replication.
T350 39659-39879 Sentence denotes From the docking and MD results, we conclude that Piperine forms a very stable complex with RBD Spro and Mpro and shows better affinity as compared to the currently used drugs that are mentioned above against SARS-CoV-2.
T351 39881-39883 Sentence denotes 4.
T352 39885-39895 Sentence denotes Conclusion
T353 39896-40123 Sentence denotes This study used molecular docking and MD simulation as potential tools to monitor the inhibitory efficiency of natural spice molecules against SARS-CoV-2, which emerged as a global threat to millions of people across the globe.
T354 40124-40281 Sentence denotes It is observed that all the proposed spice molecules qualified the ADME test with their suitable pharmacokinetic properties to be useful as a drug candidate.
T355 40282-40450 Sentence denotes The docking study is revealed that all the molecules actively take part in binding to the SARS-CoV-2 RBD Spro and Mpro with their low or high value of binding affinity.
T356 40451-40591 Sentence denotes This binding of these molecules will help to inhibit the replication of the viral proteins with specific hindrances upon their mutarotation.
T357 40592-40751 Sentence denotes For both the viral targets, Piperine performed well with its highest binding affinity of −6.4 and −7.3 kcal/mol for SARS-CoV-2 RBD Spro and Mpro, respectively.
T358 40752-40848 Sentence denotes Besides, Piperine is also found more effective as compared to a few of the currently used drugs.
T359 40849-40959 Sentence denotes The MD simulation study is supported for the stable interaction of Piperine with SARS-Cov-2 RBD Spro and Mpro.
T360 40960-41105 Sentence denotes The PCA and binding free energy results also suggest for the active participation of Piperine in stable complex formation with RBD Spro and MPro.
T361 41106-41196 Sentence denotes Hence, the study proposes Piperine as an active molecule for the inhibition of SARS-CoV-2.
T362 41197-41325 Sentence denotes Since this study is performed computationally, it requires wet-lab experiments in-vitroas well as in-vivofor further validation.
T363 41327-41349 Sentence denotes Supplementary Material
T364 41350-41371 Sentence denotes Supplemental Material
T365 41372-41408 Sentence denotes Click here for additional data file.
T366 41410-41426 Sentence denotes Acknowledgements
T367 41427-41614 Sentence denotes The authors are thankful to the Ministry of Human Resource Development (MHRD), New Delhi, for financial assistance (MHRD/(FDC)/2015–2016/438/INST) to establish the computational facility.
T368 41615-41738 Sentence denotes We are also extremely grateful to Dr. Anand Kant Das, New York University, Abu Dhabi, for a fruitful scientific discussion.
T369 41740-41760 Sentence denotes Disclosure statement
T370 41761-41805 Sentence denotes The authors declare no conflict of interest.
T371 41807-41820 Sentence denotes Abbreviations
T372 41821-41854 Sentence denotes COVID-19 coronavirus disease 2019
T373 41855-41913 Sentence denotes SARS-CoV-2 severe acute respiratory syndrome coronavirus 2
T374 41914-41941 Sentence denotes RBD receptor-binding domain
T375 41942-41960 Sentence denotes Spro spike protein
T376 41961-41979 Sentence denotes Mpro main protease
T377 41980-42017 Sentence denotes MEP molecular electrostatic potential
T378 42018-42050 Sentence denotes PCA principal component analysis
T379 42051-42103 Sentence denotes ADME absorption, distribution, metabolism, excretion

2_test

Id Subject Object Predicate Lexical cue
32938313-32155444-56197365 2501-2505 32155444 denotes 2020
32938313-32376634-56197366 2669-2673 32376634 denotes 2020
32938313-32198291-56197367 3361-3365 32198291 denotes 2020
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32938313-32020029-56197369 4700-4704 32020029 denotes 2020
32938313-26852623-56197370 5325-5329 26852623 denotes 2016
32938313-32363255-56197371 5469-5473 32363255 denotes 2020
32938313-27296605-56197372 6460-6464 27296605 denotes 2016
32938313-19653195-56197373 6481-6485 19653195 denotes 2010
32938313-23123794-56197374 6523-6527 23123794 denotes 2013
32938313-28053847-56197375 6535-6539 28053847 denotes 2016
32938313-28256516-56197376 10899-10903 28256516 denotes 2017
32938313-15264254-56197377 11218-11222 15264254 denotes 2004
32938313-15116359-56197378 11586-11590 15116359 denotes 2004
32938313-15264254-56197379 11622-11626 15264254 denotes 2004
32938313-19499576-56197380 11908-11912 19499576 denotes 2010
32938313-23832629-56197381 13419-13423 23832629 denotes 2013
32938313-23146088-56197382 13572-13576 23146088 denotes 2012
32938313-15549884-56197383 13656-13660 15549884 denotes 2004
32938313-11517324-56197384 15404-15408 11517324 denotes 2001
32938313-24850022-56197385 15425-15429 24850022 denotes 2014
32938313-2866089-56197386 17001-17005 2866089 denotes 1985
32938313-17985865-56197387 18656-18660 17985865 denotes 2007
32938313-25382374-56197388 18868-18872 25382374 denotes 2014
32938313-22992175-56197389 19261-19265 22992175 denotes 2012
32938313-22830056-56197390 19814-19818 22830056 denotes 2012
32938313-29421301-56197391 20028-20032 29421301 denotes 2018
32938313-22196228-56197392 20195-20199 22196228 denotes 2012
32938313-15154768-56197393 20217-20221 15154768 denotes 2004
32938313-11579439-56197394 21413-21417 11579439 denotes 2001
32938313-27218427-56197395 21568-21572 27218427 denotes 2016
32938313-32194324-56197396 30157-30161 32194324 denotes 2020