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PMC:7128678 / 22206-25005 JSONTXT

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LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
646 83-84 Gene denotes S Gene:43740568
647 72-82 Species denotes SARS-CoV-2 Tax:2697049
648 36-42 Chemical denotes CLQ-OH
649 116-128 Chemical denotes gangliosides MESH:D005732
671 1955-1973 Chemical denotes hydroxychloroquine MESH:D006886
672 1975-1981 Chemical denotes CLQ-OH
673 2021-2024 Chemical denotes GM1 MESH:D005677
674 2045-2048 Chemical denotes GM1 MESH:D005677
675 2073-2079 Chemical denotes CLQ-OH
676 2129-2135 Chemical denotes CLQ-OH
677 2151-2154 Chemical denotes GM1 MESH:D005677
678 2242-2249 Chemical denotes glucose MESH:D005947
679 2259-2262 Chemical denotes GM1 MESH:D005677
680 2286-2292 Chemical denotes CLQ-OH
681 2329-2332 Chemical denotes GM1 MESH:D005677
682 2368-2373 Chemical denotes N-137 MESH:C022084
683 2412-2433 Chemical denotes N-acetylgalactosamine MESH:D000116
684 2445-2448 Chemical denotes GM1 MESH:D005677
685 2503-2509 Chemical denotes CLQ-OH
686 2526-2529 Chemical denotes GM1 MESH:D005677
687 2625-2631 Chemical denotes CLQ-OH
688 2651-2654 Chemical denotes GM1 MESH:D005677
689 2723-2726 Chemical denotes GM1 MESH:D005677
690 2737-2743 Chemical denotes CLQ-OH
691 2787-2798 Chemical denotes ganglioside MESH:D005732
730 1732-1733 Gene denotes S Gene:43740568
731 213-223 Species denotes SARS-CoV-2 Tax:2697049
732 1721-1731 Species denotes SARS-Cov-2 Tax:2697049
733 174-180 Chemical denotes CLQ-OH
734 243-255 Chemical denotes gangliosides MESH:D005732
735 273-276 Chemical denotes GM1 MESH:D005677
736 312-315 Chemical denotes GM1 MESH:D005677
737 359-370 Chemical denotes ganglioside MESH:D005732
738 451-457 Chemical denotes CLQ-OH
739 518-521 Chemical denotes GM1 MESH:D005677
740 526-529 Chemical denotes GM1 MESH:D005677
741 649-655 Chemical denotes CLQ-OH
742 665-668 Chemical denotes GM1 MESH:D005677
743 745-753 Chemical denotes hydrogen MESH:D006859
744 842-850 Chemical denotes hydrogen MESH:D006859
745 865-868 Chemical denotes Asn MESH:D001216
746 932-935 Chemical denotes Phe MESH:D010649
747 964-967 Chemical denotes Asn MESH:D001216
748 997-1005 Chemical denotes hydrogen MESH:D006859
749 1021-1027 Chemical denotes GalNAc
750 1039-1042 Chemical denotes GM1 MESH:D005677
751 1089-1092 Chemical denotes Phe MESH:D010649
752 1127-1130 Chemical denotes Glc MESH:D005947
753 1142-1145 Chemical denotes GM1 MESH:D005677
754 1170-1176 Chemical denotes CLQ-OH
755 1188-1196 Chemical denotes nitrogen MESH:D009584
756 1247-1250 Chemical denotes Glc MESH:D005947
757 1286-1289 Chemical denotes Phe MESH:D010649
758 1307-1313 Chemical denotes CLQ-OH
759 1384-1390 Chemical denotes CLQ-OH
760 1429-1434 Chemical denotes sugar MESH:D000073893
761 1447-1458 Chemical denotes ganglioside MESH:D005732
762 1479-1497 Chemical denotes GalNAc ganglioside
763 1538-1549 Chemical denotes ganglioside MESH:D005732
764 1569-1576 Chemical denotes Asn-137
765 1634-1640 Chemical denotes CLQ-OH
766 1679-1690 Chemical denotes ganglioside MESH:D005732
767 1754-1765 Chemical denotes ganglioside MESH:D005732

LitCovid-PMC-OGER-BB

Id Subject Object Predicate Lexical cue
T506 72-82 SP_7 denotes SARS-CoV-2
T507 83-92 PG_1 denotes S protein
T508 103-115 GO:0009986 denotes cell surface
T509 116-128 CHEBI:16856;CHEBI:16856 denotes gangliosides
T510 213-223 SP_7 denotes SARS-CoV-2
T511 227-242 GO:0005886 denotes plasma membrane
T512 243-255 CHEBI:16856;CHEBI:16856 denotes gangliosides
T513 277-284 GO:0032991 denotes complex
T514 307-311 CHEBI:23888;CHEBI:23888 denotes drug
T515 316-323 GO:0032991 denotes complex
T516 359-370 CHEBI:5386;CHEBI:5386 denotes ganglioside
T517 445-449 CHEBI:23888;CHEBI:23888 denotes drug
T518 546-551 NCBITaxon:10239 denotes viral
T519 568-572 CHEBI:23888;CHEBI:23888 denotes drug
T520 634-639 CHEBI:23888;CHEBI:23888 denotes drugs
T521 694-704 GO:0065007 denotes controlled
T522 915-923 GO:0045177 denotes aromatic
T523 1127-1130 PR:000022772 denotes Glc
T524 1220-1224 CHEBI:23888;CHEBI:23888 denotes drug
T525 1391-1399 CHEBI:36357;CHEBI:36357 denotes molecule
T526 1447-1458 CHEBI:5386;CHEBI:5386 denotes ganglioside
T527 1486-1497 CHEBI:16856;CHEBI:16856 denotes ganglioside
T528 1538-1549 CHEBI:5386;CHEBI:5386 denotes ganglioside
T529 1555-1565 CHEBI:50325;CHEBI:50325 denotes side chain
T530 1654-1663 CHEBI:36357;CHEBI:36357 denotes molecules
T531 1679-1690 CHEBI:16856;CHEBI:16856 denotes ganglioside
T532 1721-1731 SP_7 denotes SARS-Cov-2
T533 1732-1741 PG_1 denotes S protein
T534 1754-1765 CHEBI:28892;CHEBI:28892 denotes ganglioside
T535 1955-1973 CHEBI:5801;DG_20;CHEBI:5801 denotes hydroxychloroquine
T536 1999-2005 SO:0000417 denotes domain
T537 2080-2089 CHEBI:36357;CHEBI:36357 denotes molecules
T538 2136-2145 CHEBI:36357;CHEBI:36357 denotes molecules
T539 2242-2249 CHEBI:17234;CHEBI:17234 denotes glucose
T540 2412-2433 CHEBI:28800;CHEBI:28800 denotes N-acetylgalactosamine
T541 2555-2559 CHEBI:23888;CHEBI:23888 denotes drug
T542 2632-2641 CHEBI:36357;CHEBI:36357 denotes molecules
T543 2744-2753 CHEBI:36357;CHEBI:36357 denotes molecules
T544 2787-2798 CHEBI:5386;CHEBI:5386 denotes ganglioside

LitCovid-PD-FMA-UBERON

Id Subject Object Predicate Lexical cue fma_id
T142 85-92 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T143 103-115 Body_part denotes cell surface http://purl.org/sig/ont/fma/fma67653
T144 103-107 Body_part denotes cell http://purl.org/sig/ont/fma/fma68646
T145 116-128 Body_part denotes gangliosides http://purl.org/sig/ont/fma/fma82816
T146 227-242 Body_part denotes plasma membrane http://purl.org/sig/ont/fma/fma63841
T147 243-255 Body_part denotes gangliosides http://purl.org/sig/ont/fma/fma82816
T148 359-370 Body_part denotes ganglioside http://purl.org/sig/ont/fma/fma82816
T149 552-559 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T150 958-962 Body_part denotes hand http://purl.org/sig/ont/fma/fma9712
T151 1057-1061 Body_part denotes hand http://purl.org/sig/ont/fma/fma9712
T152 1127-1130 Body_part denotes Glc http://purl.org/sig/ont/fma/fma82743
T153 1247-1250 Body_part denotes Glc http://purl.org/sig/ont/fma/fma82743
T154 1429-1434 Body_part denotes sugar http://purl.org/sig/ont/fma/fma82737
T155 1447-1458 Body_part denotes ganglioside http://purl.org/sig/ont/fma/fma82816
T156 1486-1497 Body_part denotes ganglioside http://purl.org/sig/ont/fma/fma82816
T157 1538-1549 Body_part denotes ganglioside http://purl.org/sig/ont/fma/fma82816
T158 1679-1690 Body_part denotes ganglioside http://purl.org/sig/ont/fma/fma82816
T159 1734-1741 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T160 1754-1765 Body_part denotes ganglioside http://purl.org/sig/ont/fma/fma82816
T161 2242-2249 Body_part denotes glucose http://purl.org/sig/ont/fma/fma82743
T162 2412-2433 Body_part denotes N-acetylgalactosamine http://purl.org/sig/ont/fma/fma82786
T163 2787-2798 Body_part denotes ganglioside http://purl.org/sig/ont/fma/fma82816

LitCovid-PD-UBERON

Id Subject Object Predicate Lexical cue uberon_id
T13 958-962 Body_part denotes hand http://purl.obolibrary.org/obo/UBERON_0002398
T14 1057-1061 Body_part denotes hand http://purl.obolibrary.org/obo/UBERON_0002398
T15 1418-1421 Body_part denotes tip http://purl.obolibrary.org/obo/UBERON_2001840

LitCovid-PD-MONDO

Id Subject Object Predicate Lexical cue mondo_id
T98 72-80 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T99 213-221 Disease denotes SARS-CoV http://purl.obolibrary.org/obo/MONDO_0005091
T100 269-272 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075
T102 433-436 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075
T104 622-625 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075
T106 833-836 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075
T108 1518-1521 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075
T110 1721-1725 Disease denotes SARS http://purl.obolibrary.org/obo/MONDO_0005091
T111 2007-2010 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075
T113 2116-2119 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075
T115 2389-2392 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075
T117 2588-2591 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075
T119 2708-2711 Disease denotes NTD http://purl.obolibrary.org/obo/MONDO_0008449|http://purl.obolibrary.org/obo/MONDO_0018075

LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T175 103-107 http://purl.obolibrary.org/obo/GO_0005623 denotes cell
T176 138-141 http://purl.obolibrary.org/obo/PR_000001343 denotes aim
T177 227-233 http://purl.obolibrary.org/obo/UBERON_0001969 denotes plasma
T178 234-242 http://purl.obolibrary.org/obo/UBERON_0000158 denotes membrane
T179 305-306 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T180 674-675 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T181 708-709 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T182 743-744 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T183 763-764 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T184 946-957 http://purl.obolibrary.org/obo/UBERON_0002481 denotes (b). On one
T185 984-985 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T186 1261-1265 http://purl.obolibrary.org/obo/CLO_0001387 denotes 4(c)
T187 1505-1506 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T188 1677-1678 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T189 1719-1720 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T190 2178-2179 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T191 2180-2181 http://purl.obolibrary.org/obo/CLO_0001021 denotes b
T192 2337-2338 http://purl.obolibrary.org/obo/CLO_0001020 denotes a

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T514 43-52 Chemical denotes antiviral http://purl.obolibrary.org/obo/CHEBI_22587
T515 85-92 Chemical denotes protein http://purl.obolibrary.org/obo/CHEBI_36080
T516 116-128 Chemical denotes gangliosides http://purl.obolibrary.org/obo/CHEBI_28892
T517 243-255 Chemical denotes gangliosides http://purl.obolibrary.org/obo/CHEBI_28892
T518 273-276 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T521 307-311 Chemical denotes drug http://purl.obolibrary.org/obo/CHEBI_23888
T522 312-315 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T525 359-370 Chemical denotes ganglioside http://purl.obolibrary.org/obo/CHEBI_28892
T526 445-449 Chemical denotes drug http://purl.obolibrary.org/obo/CHEBI_23888
T527 518-521 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T530 526-529 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T533 552-559 Chemical denotes protein http://purl.obolibrary.org/obo/CHEBI_36080
T534 568-572 Chemical denotes drug http://purl.obolibrary.org/obo/CHEBI_23888
T535 634-639 Chemical denotes drugs http://purl.obolibrary.org/obo/CHEBI_23888
T536 665-668 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T539 745-753 Chemical denotes hydrogen http://purl.obolibrary.org/obo/CHEBI_49637
T540 842-850 Chemical denotes hydrogen http://purl.obolibrary.org/obo/CHEBI_49637
T541 865-868 Chemical denotes Asn http://purl.obolibrary.org/obo/CHEBI_17196|http://purl.obolibrary.org/obo/CHEBI_22653|http://purl.obolibrary.org/obo/CHEBI_50347
T544 932-935 Chemical denotes Phe http://purl.obolibrary.org/obo/CHEBI_17295|http://purl.obolibrary.org/obo/CHEBI_29997
T546 964-967 Chemical denotes Asn http://purl.obolibrary.org/obo/CHEBI_17196|http://purl.obolibrary.org/obo/CHEBI_22653|http://purl.obolibrary.org/obo/CHEBI_50347
T549 997-1005 Chemical denotes hydrogen http://purl.obolibrary.org/obo/CHEBI_49637
T550 1021-1027 Chemical denotes GalNAc http://purl.obolibrary.org/obo/CHEBI_28037|http://purl.obolibrary.org/obo/CHEBI_28800
T552 1039-1042 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T555 1089-1092 Chemical denotes Phe http://purl.obolibrary.org/obo/CHEBI_17295|http://purl.obolibrary.org/obo/CHEBI_29997
T557 1127-1130 Chemical denotes Glc http://purl.obolibrary.org/obo/CHEBI_17234
T558 1142-1145 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T561 1188-1196 Chemical denotes nitrogen http://purl.obolibrary.org/obo/CHEBI_25555
T562 1220-1224 Chemical denotes drug http://purl.obolibrary.org/obo/CHEBI_23888
T563 1247-1250 Chemical denotes Glc http://purl.obolibrary.org/obo/CHEBI_17234
T564 1286-1289 Chemical denotes Phe http://purl.obolibrary.org/obo/CHEBI_17295|http://purl.obolibrary.org/obo/CHEBI_29997
T566 1391-1399 Chemical denotes molecule http://purl.obolibrary.org/obo/CHEBI_25367
T567 1447-1458 Chemical denotes ganglioside http://purl.obolibrary.org/obo/CHEBI_28892
T568 1479-1485 Chemical denotes GalNAc http://purl.obolibrary.org/obo/CHEBI_28037|http://purl.obolibrary.org/obo/CHEBI_28800
T570 1486-1497 Chemical denotes ganglioside http://purl.obolibrary.org/obo/CHEBI_28892
T571 1538-1549 Chemical denotes ganglioside http://purl.obolibrary.org/obo/CHEBI_28892
T572 1569-1572 Chemical denotes Asn http://purl.obolibrary.org/obo/CHEBI_17196|http://purl.obolibrary.org/obo/CHEBI_22653|http://purl.obolibrary.org/obo/CHEBI_50347
T575 1654-1663 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T576 1679-1690 Chemical denotes ganglioside http://purl.obolibrary.org/obo/CHEBI_28892
T577 1734-1741 Chemical denotes protein http://purl.obolibrary.org/obo/CHEBI_36080
T578 1754-1765 Chemical denotes ganglioside http://purl.obolibrary.org/obo/CHEBI_28892
T579 1955-1973 Chemical denotes hydroxychloroquine http://purl.obolibrary.org/obo/CHEBI_5801
T580 2021-2024 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T583 2045-2048 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T586 2080-2089 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T587 2136-2145 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T588 2151-2154 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T591 2242-2249 Chemical denotes glucose http://purl.obolibrary.org/obo/CHEBI_17234|http://purl.obolibrary.org/obo/CHEBI_4167
T593 2259-2262 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T596 2329-2332 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T599 2412-2433 Chemical denotes N-acetylgalactosamine http://purl.obolibrary.org/obo/CHEBI_28800
T600 2445-2448 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T603 2526-2529 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T606 2555-2559 Chemical denotes drug http://purl.obolibrary.org/obo/CHEBI_23888
T607 2632-2641 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T608 2651-2654 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T611 2723-2726 Chemical denotes GM1 http://purl.obolibrary.org/obo/CHEBI_18216|http://purl.obolibrary.org/obo/CHEBI_61048|http://purl.obolibrary.org/obo/CHEBI_73110
T614 2744-2753 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T615 2787-2798 Chemical denotes ganglioside http://purl.obolibrary.org/obo/CHEBI_28892

LitCovid-PD-GlycoEpitope

Id Subject Object Predicate Lexical cue glyco_epitope_db_id
T27 273-276 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T28 312-315 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T29 518-521 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T30 526-529 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T31 665-668 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T32 1039-1042 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T33 1142-1145 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T34 2021-2024 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T35 2045-2048 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T36 2151-2154 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T37 2259-2262 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T38 2329-2332 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T39 2445-2448 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T40 2526-2529 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T41 2651-2654 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050
T42 2723-2726 GlycoEpitope denotes GM1 http://www.glycoepitope.jp/epitopes/EP0050

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T184 0-128 Sentence denotes 3.7 Molecular mechanism of CLQ and CLQ-OH antiviral effect: preventing SARS-CoV-2 S protein access to cell surface gangliosides
T185 129-334 Sentence denotes With the aim of establishing whether CLQ and CLQ-OH could prevent the attachment of SARS-CoV-2 to plasma membrane gangliosides, the initial NTD–GM1 complex was superposed with a drug–GM1 complex (Fig. 9 ).
T186 335-398 Sentence denotes To improve clarity, the ganglioside is not presented in Fig. 9.
T187 399-588 Sentence denotes This superposition shows that the NTD and the drug (CLQ-OH in this case) share the same spatial position when bound to GM1, so GM1 cannot bind the viral protein and the drug simultaneously.
T188 589-813 Sentence denotes This is due to the fact that the NTD and the drugs (CLQ and CLQ-OH) bind to GM1 with a similar mechanism controlled by a dyad of functional interactions: a hydrogen bond and a geometrically perfect CH-π stacking interaction.
T189 814-950 Sentence denotes In the case of the NTD, the hydrogen bond involves Asn-167, whereas CH-π stacking is mediated by the aromatic ring of Phe-135 Fig. 6(b).
T190 951-1043 Sentence denotes On one hand, Asn-167 establishes a network of hydrogen bonds with the GalNAc residue of GM1.
T191 1044-1146 Sentence denotes On the other hand, the flat aromatic ring of Phe-135 stacks on to the cycle of the Glc residue of GM1.
T192 1147-1266 Sentence denotes In the case of CLQ and CLQ-OH, it is the nitrogen-containing ring of the drug that stacks on to the Glc ring Fig. 4(c).
T193 1267-1373 Sentence denotes Note that both the Phe-135 (in red) and CLQ-OH (in green) rings are located in the same position (Fig. 9).
T194 1374-1508 Sentence denotes The other CLQ-OH molecule, which covers the tip of the sugar part of the ganglioside, interacts with the GalNAc ganglioside Fig. 4(b).
T195 1509-1618 Sentence denotes When the NTD is bound to the ganglioside, the side chain of Asn-137 is found in this exact position (Fig. 9).
T196 1619-1787 Sentence denotes Thus, once two CLQ-OH (or two CLQ) molecules are bound to a ganglioside Fig. 4(e,f), any binding of a SARS-Cov-2 S protein to the same ganglioside is totally prevented.
T197 1788-1924 Sentence denotes The energy required to overcome this steric incompatibility is estimated to be several hundred kJ.mol−1, which is far too high to occur.
T198 1925-1983 Sentence denotes Fig. 9 Mechanism of action of hydroxychloroquine (CLQ-OH).
T199 1984-2090 Sentence denotes The N-terminal domain (NTD) bound to GM1 was superposed onto GM1 in interaction with two CLQ-OH molecules.
T200 2091-2363 Sentence denotes The models only show the NTD and both CLQ-OH molecules (not GM1, to improve clarity). (a,b) The aromatic ring of F-135 (in red), which stacks onto the glucose cycle of GM1, overlaps the aromatic CLQ-OH rings (in green) which also bind to GM1 via a CH-π stacking mechanism.
T201 2364-2799 Sentence denotes The N-137 residue of the NTD interacts with the N-acetylgalactosamine residue of GM1, but this interaction cannot occur in the presence of CLQ-OH as this part of GM1 is totally masked by the drug. (c,d) Superposition of the NTD surface (in purple) with the two CLQ-OH molecules bound to GM1, illustrating the steric impossibility that prevents NTD binding to GM1 when both CLQ-OH molecules are already interacting with the ganglioside.