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PMC:7594251 / 68816-70061 JSONTXT

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LitCovid-PD-FMA-UBERON

Id Subject Object Predicate Lexical cue fma_id
T40803 218-225 Body_part denotes protein http://purl.org/sig/ont/fma/fma67257
T15753 356-364 Body_part denotes cysteine http://purl.org/sig/ont/fma/fma82751
T4885 366-376 Body_part denotes amino acid http://purl.org/sig/ont/fma/fma82739
T7460 685-690 Body_part denotes cells http://purl.org/sig/ont/fma/fma68646
T32139 1006-1010 Body_part denotes palm http://purl.org/sig/ont/fma/fma24920

LitCovid-PD-MONDO

Id Subject Object Predicate Lexical cue mondo_id
T72 201-206 Disease denotes tumor http://purl.obolibrary.org/obo/MONDO_0005070

LitCovid-PD-CLO

Id Subject Object Predicate Lexical cue
T486 178-179 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T487 238-239 http://purl.obolibrary.org/obo/CLO_0001020 denotes A
T488 272-273 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T489 317-323 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T490 383-384 http://purl.obolibrary.org/obo/CLO_0001020 denotes A
T491 615-621 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T492 643-649 http://purl.obolibrary.org/obo/UBERON_0000473 denotes tested
T493 654-660 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T494 679-684 http://purl.obolibrary.org/obo/CLO_0002932 denotes EOL-1
T495 685-690 http://purl.obolibrary.org/obo/GO_0005623 denotes cells
T496 796-802 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T497 836-844 http://purl.obolibrary.org/obo/CLO_0001658 denotes activity
T498 878-884 http://purl.obolibrary.org/obo/CLO_0001658 denotes active
T499 968-969 http://purl.obolibrary.org/obo/CLO_0001020 denotes a
T500 1077-1085 http://purl.obolibrary.org/obo/CLO_0001658 denotes activity

LitCovid-PD-CHEBI

Id Subject Object Predicate Lexical cue chebi_id
T18972 115-125 Chemical denotes inhibitors http://purl.obolibrary.org/obo/CHEBI_35222
T58070 218-225 Chemical denotes protein http://purl.obolibrary.org/obo/CHEBI_36080
T75075 290-299 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T47171 356-364 Chemical denotes cysteine http://purl.obolibrary.org/obo/CHEBI_15356
T70311 366-376 Chemical denotes amino acid http://purl.obolibrary.org/obo/CHEBI_33709
T17609 366-371 Chemical denotes amino http://purl.obolibrary.org/obo/CHEBI_46882
T28020 372-376 Chemical denotes acid http://purl.obolibrary.org/obo/CHEBI_37527
T17680 385-391 Chemical denotes ligand http://purl.obolibrary.org/obo/CHEBI_52214
T41123 463-472 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T13742 521-523 Chemical denotes 1H http://purl.obolibrary.org/obo/CHEBI_49637
T1894 585-590 Chemical denotes probe http://purl.obolibrary.org/obo/CHEBI_50406
T27482 885-894 Chemical denotes molecules http://purl.obolibrary.org/obo/CHEBI_25367
T67509 980-987 Chemical denotes ligands http://purl.obolibrary.org/obo/CHEBI_52214
T8796 1215-1220 Chemical denotes drugs http://purl.obolibrary.org/obo/CHEBI_23888

LitCovid-PubTator

Id Subject Object Predicate Lexical cue tao:has_database_id
679 140-169 Gene denotes ubiquitin specific protease 7 Gene:7874
680 171-175 Gene denotes USP7 Gene:7874
681 227-230 Gene denotes p53 Gene:7157
682 332-336 Gene denotes USP7 Gene:7874
683 831-835 Gene denotes USP7 Gene:7874
684 1046-1050 Gene denotes USP7 Gene:7874
685 356-364 Chemical denotes cysteine MESH:D003545
686 521-523 Chemical denotes 1H
687 524-527 Chemical denotes 15N
688 628-636 Chemical denotes Di Lello
689 201-206 Disease denotes tumor MESH:D009369

LitCovid-PD-GO-BP

Id Subject Object Predicate Lexical cue
T93302 201-217 http://purl.obolibrary.org/obo/GO_0051726 denotes tumor suppressor

LitCovid-PD-HP

Id Subject Object Predicate Lexical cue hp_id
T11 201-206 Phenotype denotes tumor http://purl.obolibrary.org/obo/HP_0002664

LitCovid-sentences

Id Subject Object Predicate Lexical cue
T465 0-237 Sentence denotes In another scientific work that integrated NMR with virtual screening, Di Lello et al. [333] found small molecular inhibitors of the enzyme ubiquitin specific protease 7 (USP7), a key regulator of the tumor suppressor protein, p53 [334].
T466 238-382 Sentence denotes A fragment screen by NMR revealed a series of small molecules that bind in the active site of USP7 near the catalytic cysteine (amino acid 223).
T467 383-627 Sentence denotes A ligand-based virtual screen utilizing the fastROCS program identified ~30 hit molecules, several of which were further characterized by 1H-15N TROSY chemical shift perturbation and line broadening to probe the binding site of the active hits.
T468 628-845 Sentence denotes Di Lello. also tested the active compounds against EOL-1 cells to verify the hits as identified by virtual screening and further characterized by NMR, showing that the active compounds do indeed inhibit USP7 activity.
T469 846-1092 Sentence denotes Through additional study of the active molecules and further optimization of their structures, they eventually discovered a series of ligands that bind in the “palm” region of the catalytic domain of USP7, inhibiting its catalytic activity [333].
T470 1093-1245 Sentence denotes This study clearly demonstrates that NMR screening-based techniques can be combined with virtual screening to find viable drugs for targets of interest.