
PMC:7571312 / 21171-22285
Annnotations
LitCovid-PD-FMA-UBERON
Id | Subject | Object | Predicate | Lexical cue | fma_id |
---|---|---|---|---|---|
T52556 | 95-103 | Body_part | denotes | cysteine | http://purl.org/sig/ont/fma/fma82751 |
T92468 | 660-668 | Body_part | denotes | cysteine | http://purl.org/sig/ont/fma/fma82751 |
LitCovid-PD-MONDO
Id | Subject | Object | Predicate | Lexical cue | mondo_id |
---|---|---|---|---|---|
T63 | 504-508 | Disease | denotes | SARS | http://purl.obolibrary.org/obo/MONDO_0005091 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T59256 | 265-266 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T19419 | 404-410 | http://purl.obolibrary.org/obo/CLO_0001658 | denotes | active |
T18919 | 606-607 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T36051 | 648-654 | http://purl.obolibrary.org/obo/CLO_0001658 | denotes | active |
T23602 | 913-915 | http://purl.obolibrary.org/obo/CLO_0008922 | denotes | S2 |
T57314 | 913-915 | http://purl.obolibrary.org/obo/CLO_0050052 | denotes | S2 |
T18914 | 926-927 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T63101 | 1015-1016 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T52927 | 1064-1066 | http://purl.obolibrary.org/obo/CLO_0008307 | denotes | P2 |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T338 | 13-23 | Chemical | denotes | inhibitors | http://purl.obolibrary.org/obo/CHEBI_35222 |
T339 | 48-54 | Chemical | denotes | ethers | http://purl.obolibrary.org/obo/CHEBI_25698 |
T340 | 95-123 | Chemical | denotes | cysteine protease inhibitors | http://purl.obolibrary.org/obo/CHEBI_64152 |
T341 | 95-103 | Chemical | denotes | cysteine | http://purl.obolibrary.org/obo/CHEBI_15356 |
T342 | 104-123 | Chemical | denotes | protease inhibitors | http://purl.obolibrary.org/obo/CHEBI_37670|http://purl.obolibrary.org/obo/CHEBI_60258 |
T344 | 113-123 | Chemical | denotes | inhibitors | http://purl.obolibrary.org/obo/CHEBI_35222 |
T345 | 203-213 | Chemical | denotes | inhibitors | http://purl.obolibrary.org/obo/CHEBI_35222 |
T346 | 274-282 | Chemical | denotes | hydrogen | http://purl.obolibrary.org/obo/CHEBI_49637 |
T347 | 324-332 | Chemical | denotes | hydroxyl | http://purl.obolibrary.org/obo/CHEBI_29191|http://purl.obolibrary.org/obo/CHEBI_43176 |
T349 | 347-356 | Chemical | denotes | inhibitor | http://purl.obolibrary.org/obo/CHEBI_35222 |
T350 | 416-419 | Chemical | denotes | Cys | http://purl.obolibrary.org/obo/CHEBI_15356|http://purl.obolibrary.org/obo/CHEBI_17561|http://purl.obolibrary.org/obo/CHEBI_29950 |
T353 | 428-434 | Chemical | denotes | ketone | http://purl.obolibrary.org/obo/CHEBI_17087 |
T354 | 634-640 | Chemical | denotes | sulfur | http://purl.obolibrary.org/obo/CHEBI_26833 |
T355 | 660-668 | Chemical | denotes | cysteine | http://purl.obolibrary.org/obo/CHEBI_15356 |
T356 | 690-698 | Chemical | denotes | carbonyl | http://purl.obolibrary.org/obo/CHEBI_23019 |
T357 | 710-718 | Chemical | denotes | hydrogen | http://purl.obolibrary.org/obo/CHEBI_49637 |
T358 | 778-785 | Chemical | denotes | hydroxy | http://purl.obolibrary.org/obo/CHEBI_43176 |
T359 | 913-915 | Chemical | denotes | S2 | http://purl.obolibrary.org/obo/CHEBI_29387 |
T360 | 1042-1052 | Chemical | denotes | inhibitors | http://purl.obolibrary.org/obo/CHEBI_35222 |
T361 | 1064-1066 | Chemical | denotes | P2 | http://purl.obolibrary.org/obo/CHEBI_33472 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T135 | 0-449 | Sentence | denotes | Peptidyl HMK inhibitors and their corresponding ethers have been designed as potent reversible cysteine protease inhibitors of cathepsin K34 and cruzain.43 High-resolution crystal structures of two such inhibitors complexed with cruzain highlighted the presence of a strong hydrogen bond between the catalytic His and the α-hydroxyl moiety of the inhibitor but interestingly no covalent bond between the active-site Cys and the ketone pharmacophore. |
T136 | 450-793 | Sentence | denotes | Utilizing the crystal structure of 28 in complex with SARS CoV-1 3CLpro, molecular modeling of an HMK-based design indicated the potential for establishing a covalent bond between the sulfur of the active-site cysteine (Cys145) and the HMK carbonyl as well as hydrogen bond interactions between catalytic His41 and the terminal hydroxy moiety. |
T137 | 794-966 | Sentence | denotes | Additionally, the structure of 28 suggested the possibility to increase the lipophilic filling of the deep hydrophobic S2 pocket as a strategy to increase binding affinity. |
T138 | 967-1114 | Sentence | denotes | To evaluate these structure-based observations, a series of reversible HMK inhibitors containing P2 diversity were prepared as depicted in Table 3. |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
555 | 127-138 | Gene | denotes | cathepsin K | Gene:1513 |
556 | 95-112 | Gene | denotes | cysteine protease | Gene:1508 |
557 | 504-512 | Species | denotes | SARS CoV | Tax:694009 |
558 | 274-282 | Chemical | denotes | hydrogen | MESH:D006859 |
559 | 310-313 | Chemical | denotes | His | MESH:D006639 |
560 | 416-419 | Chemical | denotes | Cys | MESH:D003545 |
561 | 428-434 | Chemical | denotes | ketone | MESH:D007659 |
562 | 634-640 | Chemical | denotes | sulfur | MESH:D013455 |
563 | 660-668 | Chemical | denotes | cysteine | MESH:D003545 |
564 | 670-676 | Chemical | denotes | Cys145 | |
565 | 710-718 | Chemical | denotes | hydrogen | MESH:D006859 |
566 | 755-760 | Chemical | denotes | His41 | |
567 | 1064-1066 | Chemical | denotes | P2 | MESH:C020845 |