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PMC:7755033 / 49656-53516 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
833 67-72 Gene denotes spike Gene:43740568
834 56-66 Species denotes SARS-CoV-2 Tax:2697049
835 30-32 Species denotes WS Tax:126910
836 156-163 Chemical denotes Arbidol MESH:C086979
837 168-186 Chemical denotes Hydroxychloroquine MESH:D006886
852 1372-1383 Chemical denotes Withanolide MESH:D054358
853 1402-1408 Chemical denotes Gln957
854 1410-1416 Chemical denotes Thr961
855 1418-1424 Chemical denotes Lys964
856 1426-1432 Chemical denotes Gln965
857 1434-1440 Chemical denotes Ser967
858 1442-1448 Chemical denotes Ser968
859 1450-1456 Chemical denotes Leu303
860 1458-1464 Chemical denotes Lys304
861 1466-1472 Chemical denotes Thr302
862 617-623 CellLine denotes Leu293 CVCL:D293
863 1910-1916 CellLine denotes Leu293 CVCL:D293
864 3421-3427 CellLine denotes Leu293 CVCL:D293
865 3686-3692 CellLine denotes Leu293 CVCL:D293

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T473 0-8 Sentence denotes Table 7.
T474 10-188 Sentence denotes Binding energies of WS phytoconstituents with SARS-CoV-2 spike glycoprotein (PDB ID:6VXX) in comparison to FDA approved standard reference drugs (Arbidol and Hydroxychloroquine).
T475 189-240 Sentence denotes     AutoDock v4.2.6 AutoDock vina iGEMDOCK v2.1
T476 241-243 Sentence denotes S.
T477 244-247 Sentence denotes No.
T478 249-399 Sentence denotes Ligands BE (kcal/mol) K d Interacting amino acids BE(kcal/mol) K d Interacting amino acids TE(kcal/mol) VDW HB EI Interacting amino acids
T479 400-402 Sentence denotes 1.
T480 404-713 Sentence denotes Withaferin A –6.11 33.39 µM Leu303, Tyr313, Thr302, Gln314, Thr315, Ser316, Asn317, Arg319 –8.6 447.56 nM Gln218, Phe59, Gly219, Phe220, Thr33, Asp287, Phe58, Val289, Ser297, Lys300, Asp294, Leu296, Asn606, Leu293 –84.45 –66.52 17.93 0 Thr430, Asp428, Phe515, Ser514, Glu516, Tyr396, Arg355, Phe464
T481 714-716 Sentence denotes 2.
T482 718-1043 Sentence denotes Withanolide A –7.18 5.48 µM Glu309, Tyr313, Thr302, Leu303, Lys304, Gln957 –8.4 650.76 nM Leu977, Cys743, Val976, Asn978, Leu966, Ser975, Ser967, Arg44, Ser45, Val47, Asn856, Arg1000, Tyr741, Ile742 –83.67 –61.91 –21.76 0 Arg273, Pro272, Cys291, Thr274, Cys301, Gln52, Lys304, Ser50, Thr301, Thr315, Ala292, Glu298
T483 1044-1046 Sentence denotes 3.
T484 1048-1367 Sentence denotes Withanolide B –6.81 10.26 µM Gln31, Tyr313, Thr302, Leu303, Lys304, Gln957, Asn960, Lys964 –8.0 771.67 nM Arg319, Thr572, Thr573, Asp571, Arg567, Leu546, Thr547, Gly548, Phe541, Thr549, Pro589, Cys590, Phe592, Arg319 –86.89 –78.89 –7.9 0 Asn556, Ile584, Leu582, Arg577, Lys557, Lys558, Phe559, Leu560, Pro561
T485 1368-1370 Sentence denotes 4.
T486 1372-1484 Sentence denotes Withanolide D –6.9 8.68 µM Gln957, Thr961, Lys964, Gln965, Ser967, Ser968, Leu303, Lys304, Thr302 –8.7 398.
T487 1485-1741 Sentence denotes 84 nM Val976, Arg1000, Phe855, Ser975, Lys854, Val963, Asn856, Ser967, Leu966, Asn978, Leu977, Asp745, Met740, Gly744, Tyr741 –82.91 –69.68 –13.23 0 Gln954, Ala958, Thr961, Leu962, Arg1014, Glu1017, Ile1013, Gln1010, Tyr1007, Thr1006, Ser1003, Gln965
T488 1742-1744 Sentence denotes 5.
T489 1746-2014 Sentence denotes Withanolide E –6.94 8.17 µM Gln957, Lys964, Lys304, Leu303, Thr302 –8.0 771.57 nM Asn30, Phe59, Thr33, Phe58, Phe306, Val289, Ala288, Lys300, Ser297, Leu296, Leu293, Asp294 –91.24 –82.26 –8.98 0 Glu340, Gly339, Phe338, Cys336, Ala363, Asp364, Val362, Leu335
T490 2015-2017 Sentence denotes 6.
T491 2019-2305 Sentence denotes Withanone –7.15 5.75 µM Gln309, Ser305, Leu303, Lys304, Thr302, Lys964, Gln957 –8.0 771.87 nM Asn978, Val963, Lys964, Ser967, Asn856, Ser975, Val976, Leu966, Tyr741, Leu977, Arg1000, Gly744 –84.14 –69.21 –14.92 0 Pro793, Pro792, Thr791, Lys790, Pro897, Thr883, Ile896, Gln895
T492 2306-2308 Sentence denotes 7.
T493 2310-2637 Sentence denotes Viscosalactone B –6.02 38.89 µM Gln957, Ser305, Lys304, Leu303, Thr302, Thr315, Gln31, Ser316, Asn317 –8.2 935.88 nM Asn856, Gly744, Arg1000, Val976, Ser975, Ser967, Leu966, Asn978, Leu977 –98.52 –80.77 –17.75 0 Phe86, Asn87, Ile235, Asp88, Asn234, Pro272, Ile233, Leu54, Asn196, Asp53, Gln52, Ile197, Gly199, Asp198
T494 2638-2640 Sentence denotes 8.
T495 2642-2944 Sentence denotes Anaferine –3.86 1.47 mM Tyr313, Glu309, Leu303, Lys304, Gln957 –5.0 213.05 µM Ser967, Ser975, Val976, Leu977, Arg1000, Asn978, Gly744, Asp745, Met740, Phe855, Tyr741, Leu966, Asn856, Val963, Lys964 –72.56 –58.62 –13.94 0 Lys933, Ser929, Ile934, Ala930, Gln926, Thr719, Ser721, Ile720, Val722
T496 2945-2947 Sentence denotes 9.
T497 2949-3248 Sentence denotes Withasomnine –4.51 494.91 µM Ser316, Thr315, Glu298, Cys291, Thr302, Cys301, Thr274, Lys304, Ser50 –6.2 29.91 µM Ser1003, Leu962, Tyr1007, Gln957, Arg1014, Gln1010, Ala958, Thr1006, Gln965, Thr961 –73.49 –65.71 –7.78 0 Glu1111, Gln1113, Thr1105, Gln1106, Val1104, Thr912, Asn1119, Glu1092
T498 3249-3252 Sentence denotes 10.
T499 3254-3565 Sentence denotes Arbidol –3.14 4.99 mM Glu309, Tyr313, Gln314, Leu303, Thr302, Gln957, Thr961, Lys964 –5.8 56.89 µM Phe59, Thr33, Phe220, Thr286, Asp287, Ala288, Val289, Asp290, Leu293, Asp294, Leu296, Ser297, Lys300 –78.93 –72.29 –6.64 0 Thr618, Glu619, Gln644, Asn616, Val615, Asp614, Phe592, Cys590, Pro589, Thr589
T500 3566-3569 Sentence denotes 11.
T501 3571-3860 Sentence denotes Hydroxychloroquine –2.48 15.11 mM Ser50, Cys301, Glu298, Thr302, Thr315, Ser316 –6.1 35.2 µM Asp294, Leu296, Leu293, Ser297, Lys300, Val289, Asp287, Phe306, Thr33, Asn606, Thr602 –72.42 –62.92 –9.5 0 Val722, Thr724, Ile726, Ile934, Ser937, Leu938, Thr941, Ala944, Ser943, Ile726