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PMC:7128678 / 8080-9989 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
248 1212-1223 Chemical denotes chloroquine MESH:D002738
249 1247-1259 Chemical denotes sialic acids MESH:D012794
250 1301-1312 Chemical denotes sialic acid MESH:D019158
251 1314-1320 Chemical denotes Neu5Ac
252 1461-1466 Chemical denotes water MESH:D014867
253 1481-1487 Chemical denotes Neu5Ac
254 1502-1508 Chemical denotes Neu5Ac
255 1543-1547 Chemical denotes CH-π
256 1663-1697 Chemical denotes N-acetyl-9-O-acetylneuraminic acid MESH:C025676
257 1782-1786 Chemical denotes OH-π
275 47-52 Species denotes human Tax:9606
276 626-639 Species denotes coronaviruses Tax:11118
277 0-6 Chemical denotes Neu5Ac
278 26-37 Chemical denotes sialic acid MESH:D019158
279 71-83 Chemical denotes gangliosides MESH:D005732
280 110-116 Chemical denotes Neu5Ac
281 203-208 Chemical denotes water MESH:D014867
282 306-312 Chemical denotes Neu5Ac
283 454-465 Chemical denotes carboxylate
284 475-481 Chemical denotes Neu5Ac
285 669-703 Chemical denotes 9-O-acetyl-N-acetylneuraminic acid MESH:C025676
286 836-847 Chemical denotes sialic acid MESH:D019158
287 975-986 Chemical denotes carboxylate
288 1000-1011 Chemical denotes sialic acid MESH:D019158
289 1054-1062 Chemical denotes nitrogen MESH:D009584
290 1145-1149 Chemical denotes OH-π
291 120-143 Disease denotes quasi-instantaneous fit MESH:D012640

LitCovid-PMC-OGER-BB

Id Subject Object Predicate Lexical cue
T179 0-6 PR:000002082 denotes Neu5Ac
T180 26-32 CHEBI:30563;CHEBI:30563 denotes sialic
T181 33-37 CHEBI:24195;CHEBI:24195 denotes acid
T182 47-52 SP_6;NCBITaxon:9606 denotes human
T183 53-66 CHEBI:17089;CHEBI:17089;BV_11 denotes glycoproteins
T184 71-83 CHEBI:28892;CHEBI:28892 denotes gangliosides
T185 110-116 PR:000002082 denotes Neu5Ac
T186 169-178 CHEBI:36357;CHEBI:36357 denotes molecules
T187 203-208 CHEBI:15377;CHEBI:15377 denotes water
T188 306-312 PR:000002082 denotes Neu5Ac
T189 313-320 GO:0032991 denotes complex
T190 475-481 PR:000002082 denotes Neu5Ac
T191 501-509 CHEBI:36916;CHEBI:36916 denotes cationic
T192 581-588 GO:0032991 denotes complex
T193 626-639 NCBITaxon:11118 denotes coronaviruses
T194 669-670 CHEBI:16066;CHEBI:16066 denotes 9
T195 673-679 CHEBI:40574;CHEBI:40574 denotes acetyl
T196 680-703 CHEBI:17012;CHEBI:17012 denotes N-acetylneuraminic acid
T197 836-847 CHEBI:26667;CHEBI:26667 denotes sialic acid
T198 987-992 CHEBI:24433;CHEBI:24433 denotes group
T199 1000-1011 CHEBI:26667;CHEBI:26667 denotes sialic acid
T200 1032-1046 CHEBI:64766;CHEBI:64766 denotes cationic group
T201 1111-1118 GO:0032991 denotes complex
T202 1212-1223 CHEBI:3638;DG_10;CHEBI:3638 denotes chloroquine
T203 1247-1259 CHEBI:26667;CHEBI:26667 denotes sialic acids
T204 1301-1307 CHEBI:30563;CHEBI:30563 denotes sialic
T205 1308-1312 CHEBI:41865;CHEBI:41865 denotes acid
T206 1314-1320 PR:000002082 denotes Neu5Ac
T207 1322-1329 GO:0032991 denotes complex
T208 1357-1364 GO:0032991 denotes complex
T209 1461-1466 CHEBI:15377;CHEBI:15377 denotes water
T210 1481-1487 PR:000002082 denotes Neu5Ac
T211 1502-1508 PR:000002082 denotes Neu5Ac
T212 1595-1610 CHEBI:64766;CHEBI:64766 denotes cationic groups
T213 1663-1697 CHEBI:21500;CHEBI:21500 denotes N-acetyl-9-O-acetylneuraminic acid
T214 1824-1839 CHEBI:64766;CHEBI:64766 denotes cationic groups
T215 1901-1908 GO:0032991 denotes complex

LitCovid-PD-FMA-UBERON

Id Subject Object Predicate Lexical cue fma_id
T39 53-66 Body_part denotes glycoproteins http://purl.org/sig/ont/fma/fma62925
T40 71-83 Body_part denotes gangliosides http://purl.org/sig/ont/fma/fma82816
T41 680-703 Body_part denotes N-acetylneuraminic acid http://purl.org/sig/ont/fma/fma82788

LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T51 47-52 http://purl.obolibrary.org/obo/NCBITaxon_9606 denotes human
T52 118-119 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T53 246-251 http://purl.obolibrary.org/obo/CLO_0001236 denotes 2 (a)
T54 372-373 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T55 374-375 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T56 736-737 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T57 849-850 http://purl.obolibrary.org/obo/CLO_0001020 denotes A
T58 904-907 http://purl.obolibrary.org/obo/CLO_0002755 denotes d–f
T59 944-946 http://purl.obolibrary.org/obo/CLO_0053799 denotes 45
T60 1262-1263 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T61 1264-1265 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T62 1526-1527 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T63 1755-1756 http://purl.obolibrary.org/obo/CLO_0001020 denotes a

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T122 0-6 Chemical denotes Neu5Ac http://purl.obolibrary.org/obo/CHEBI_17012|http://purl.obolibrary.org/obo/CHEBI_75133
T124 26-37 Chemical denotes sialic acid http://purl.obolibrary.org/obo/CHEBI_26667
T125 33-37 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T126 53-66 Chemical denotes glycoproteins http://purl.obolibrary.org/obo/CHEBI_17089
T127 71-83 Chemical denotes gangliosides http://purl.obolibrary.org/obo/CHEBI_28892
T128 110-116 Chemical denotes Neu5Ac http://purl.obolibrary.org/obo/CHEBI_17012|http://purl.obolibrary.org/obo/CHEBI_75133
T130 169-178 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T131 203-208 Chemical denotes water http://purl.obolibrary.org/obo/CHEBI_15377
T132 306-312 Chemical denotes Neu5Ac http://purl.obolibrary.org/obo/CHEBI_17012|http://purl.obolibrary.org/obo/CHEBI_75133
T134 466-471 Chemical denotes group http://purl.obolibrary.org/obo/CHEBI_24433
T135 475-481 Chemical denotes Neu5Ac http://purl.obolibrary.org/obo/CHEBI_17012|http://purl.obolibrary.org/obo/CHEBI_75133
T137 673-679 Chemical denotes acetyl http://purl.obolibrary.org/obo/CHEBI_40574|http://purl.obolibrary.org/obo/CHEBI_46887
T139 680-703 Chemical denotes N-acetylneuraminic acid http://purl.obolibrary.org/obo/CHEBI_17012
T140 699-703 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T141 836-847 Chemical denotes sialic acid http://purl.obolibrary.org/obo/CHEBI_26667
T142 843-847 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T143 987-992 Chemical denotes group http://purl.obolibrary.org/obo/CHEBI_24433
T144 1000-1011 Chemical denotes sialic acid http://purl.obolibrary.org/obo/CHEBI_26667
T145 1007-1011 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T146 1032-1046 Chemical denotes cationic group http://purl.obolibrary.org/obo/CHEBI_64766
T147 1041-1046 Chemical denotes group http://purl.obolibrary.org/obo/CHEBI_24433
T148 1054-1062 Chemical denotes nitrogen http://purl.obolibrary.org/obo/CHEBI_25555
T149 1212-1223 Chemical denotes chloroquine http://purl.obolibrary.org/obo/CHEBI_3638
T150 1247-1259 Chemical denotes sialic acids http://purl.obolibrary.org/obo/CHEBI_26667
T151 1254-1259 Chemical denotes acids http://purl.obolibrary.org/obo/CHEBI_37527
T152 1301-1312 Chemical denotes sialic acid http://purl.obolibrary.org/obo/CHEBI_26667
T153 1308-1312 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T154 1314-1320 Chemical denotes Neu5Ac http://purl.obolibrary.org/obo/CHEBI_17012|http://purl.obolibrary.org/obo/CHEBI_75133
T156 1461-1466 Chemical denotes water http://purl.obolibrary.org/obo/CHEBI_15377
T157 1481-1487 Chemical denotes Neu5Ac http://purl.obolibrary.org/obo/CHEBI_17012|http://purl.obolibrary.org/obo/CHEBI_75133
T159 1502-1508 Chemical denotes Neu5Ac http://purl.obolibrary.org/obo/CHEBI_17012|http://purl.obolibrary.org/obo/CHEBI_75133
T161 1595-1610 Chemical denotes cationic groups http://purl.obolibrary.org/obo/CHEBI_64766
T162 1663-1697 Chemical denotes N-acetyl-9-O-acetylneuraminic acid http://purl.obolibrary.org/obo/CHEBI_21500
T163 1665-1671 Chemical denotes acetyl http://purl.obolibrary.org/obo/CHEBI_40574|http://purl.obolibrary.org/obo/CHEBI_46887
T165 1693-1697 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T166 1824-1839 Chemical denotes cationic groups http://purl.obolibrary.org/obo/CHEBI_64766

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T63 0-84 Sentence denotes Neu5Ac is the predominant sialic acid found in human glycoproteins and gangliosides.
T64 85-252 Sentence denotes When CLQ was merged with Neu5Ac, a quasi-instantaneous fit occurred between the two molecules, whose global shapes in water are geometrically complementary Fig. 2 (a).
T65 253-377 Sentence denotes This is particularly obvious in the views of the CLQ–Neu5Ac complex in mixed surface/balls and sticks rendition Fig. 2(a,b).
T66 378-546 Sentence denotes The interaction was driven by the positioning of the negative charge of the carboxylate group of Neu5Ac and one of the two cationic charges of CLQ (pKa 10.2) Fig. 2(c).
T67 547-622 Sentence denotes The energy of interaction of this complex was estimated to be -47 kJ.mol−1.
T68 623-848 Sentence denotes As coronaviruses preferentially interact with 9-O-acetyl-N-acetylneuraminic acid (9-O-SIA) [10], this study used a similar molecular modelling approach to assess whether CLQ could also interact with this specific sialic acid.
T69 849-956 Sentence denotes A good fit between CLQ and 9-O-SIA was obtained Fig. 2(d–f), with an energy of interaction of -45 kJ.mol−1.
T70 957-1106 Sentence denotes In this case, the carboxylate group of the sialic acid interacted with the cationic group of the nitrogen-containing ring of CLQ (pKa 8.1) Fig. 2(d).
T71 1107-1181 Sentence denotes The complex was further stabilized by OH-π and van der Waals interactions.
T72 1182-1330 Sentence denotes Fig. 2 Molecular modelling of chloroquine (CLQ) interaction with sialic acids. (a,b) Surface representation of the CLQ–sialic acid (Neu5Ac) complex.
T73 1331-1375 Sentence denotes Two opposite views of the complex are shown.
T74 1376-1708 Sentence denotes Note the geometric complementarity between the L-shape conformer of CLQ dissolved in water (in blue) and Neu5Ac (in red). (c) Neu5Ac bound to CLQ via a combination of CH-π and electrostatic interactions with one of the cationic groups of CLQ (+). (d) Molecular modelling of CLQ bound to N-acetyl-9-O-acetylneuraminic acid (9-O-SIA).
T75 1709-1909 Sentence denotes From right to left, the dashed lines indicate a series of van der Waals, OH-π and electrostatic contacts with both cationic groups of CLQ (+). (e,f) Surface representations of the CLQ–9-O-SIA complex.

2_test

Id Subject Object Predicate Lexical cue
32251731-23873408-48149952 715-717 23873408 denotes 10
T46400 715-717 23873408 denotes 10