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PMC:7441777 / 31988-32893 JSONTXT

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LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T199 209-212 http://purl.obolibrary.org/obo/CLO_0009325 denotes TF1
T200 279-281 http://purl.obolibrary.org/obo/CLO_0008922 denotes S2
T201 279-281 http://purl.obolibrary.org/obo/CLO_0050052 denotes S2

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T432 46-56 Chemical denotes remdesivir http://purl.obolibrary.org/obo/CHEBI_145994
T433 58-62 Chemical denotes EGCG http://purl.obolibrary.org/obo/CHEBI_4806
T434 64-67 Chemical denotes TF3 http://purl.obolibrary.org/obo/CHEBI_136608
T435 168-177 Chemical denotes myricetin http://purl.obolibrary.org/obo/CHEBI_18152|http://purl.obolibrary.org/obo/CHEBI_58395
T437 179-192 Chemical denotes quercetagetin http://purl.obolibrary.org/obo/CHEBI_8695
T438 194-204 Chemical denotes hesperidin http://purl.obolibrary.org/obo/CHEBI_28775
T439 261-271 Chemical denotes remdesivir http://purl.obolibrary.org/obo/CHEBI_145994
T440 279-281 Chemical denotes S2 http://purl.obolibrary.org/obo/CHEBI_29387
T441 336-346 Chemical denotes polyphenol http://purl.obolibrary.org/obo/CHEBI_26195
T442 347-350 Chemical denotes TF3 http://purl.obolibrary.org/obo/CHEBI_136608
T443 401-405 Chemical denotes EGCG http://purl.obolibrary.org/obo/CHEBI_4806
T444 431-441 Chemical denotes inhibitors http://purl.obolibrary.org/obo/CHEBI_35222
T445 476-479 Chemical denotes TF3 http://purl.obolibrary.org/obo/CHEBI_136608
T446 489-493 Chemical denotes EGCG http://purl.obolibrary.org/obo/CHEBI_4806
T447 503-513 Chemical denotes remdesivir http://purl.obolibrary.org/obo/CHEBI_145994
T448 515-518 Chemical denotes TF3 http://purl.obolibrary.org/obo/CHEBI_136608
T449 633-643 Chemical denotes inhibitors http://purl.obolibrary.org/obo/CHEBI_35222
T450 701-705 Chemical denotes EGCG http://purl.obolibrary.org/obo/CHEBI_4806
T451 829-833 Chemical denotes EGCG http://purl.obolibrary.org/obo/CHEBI_4806

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
777 69-73 Gene denotes TF2b Gene:2959
778 374-378 Gene denotes RdRp Gene:43740578
779 496-500 Gene denotes TF2b Gene:2959
780 542-546 Gene denotes RdRp Gene:43740578
781 684-688 Gene denotes RdRp Gene:43740578
782 709-713 Gene denotes TF2b Gene:2959
783 869-873 Gene denotes TF2b Gene:2959
784 46-56 Chemical denotes remdesivir MESH:C000606551
785 58-62 Chemical denotes EGCG MESH:C045651
786 168-177 Chemical denotes myricetin MESH:C040015
787 179-192 Chemical denotes quercetagetin MESH:C079163
788 194-204 Chemical denotes hesperidin MESH:D006569
789 261-271 Chemical denotes remdesivir MESH:C000606551
790 336-346 Chemical denotes polyphenol MESH:D059808
791 401-405 Chemical denotes EGCG MESH:C045651
792 489-493 Chemical denotes EGCG MESH:C045651
793 503-513 Chemical denotes remdesivir MESH:C000606551
794 701-705 Chemical denotes EGCG MESH:C045651
795 829-833 Chemical denotes EGCG MESH:C045651

LitCovid-PD-GlycoEpitope

Id Subject Object Predicate Lexical cue glyco_epitope_db_id
T15 209-212 GlycoEpitope denotes TF1 http://www.glycoepitope.jp/epitopes/AN0049

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T302 0-316 Sentence denotes The estimated binding free energy (ΔGbind) of remdesivir, EGCG, TF3, TF2b, and TF2a were −24.57, −27.02, −42.27, −26.74 and −27.17 kcal/mol, respectively (Table 4) and myricetin, quercetagetin, hesperidin and TF1 show lower binding affinity compared to that of remdesivir (Table S2 in the Supplementary Information).
T303 317-406 Sentence denotes This suggests that polyphenol TF3 binds most strongly to RdRp, followed by TF2a and EGCG.
T304 407-514 Sentence denotes The potency of the five inhibitors decreases in the following order: TF3 > TF2a > EGCG > TF2b > remdesivir.
T305 515-644 Sentence denotes TF3 binds most strongly to RdRp because both ΔEvdW and ΔEelec are more favorable to the binding compared to the other inhibitors.
T306 645-905 Sentence denotes Similarly, TF2a binds more strongly to RdRp compared to EGCG or TF2b because ΔGpol + elec is favorable for TF2a (ΔGpol + elec = −0.34 kcal/mol) while it is found to be unfavorable for EGCG (ΔGpol + elec = 2.24 kcal/mol) and TF2b (ΔGpol + elec = 7.83 kcal/mol).