PMC:7571312 / 22607-23426
Annnotations
LitCovid-PD-MONDO
| Id | Subject | Object | Predicate | Lexical cue | mondo_id |
|---|---|---|---|---|---|
| T65 | 232-236 | Disease | denotes | SARS | http://purl.obolibrary.org/obo/MONDO_0005091 |
LitCovid-PD-CLO
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T17416 | 40-42 | http://purl.obolibrary.org/obo/CLO_0008922 | denotes | S2 |
| T390 | 40-42 | http://purl.obolibrary.org/obo/CLO_0050052 | denotes | S2 |
| T74194 | 71-72 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
| T29295 | 137-139 | http://purl.obolibrary.org/obo/CLO_0001313 | denotes | 36 |
| T38768 | 147-149 | http://purl.obolibrary.org/obo/CLO_0053794 | denotes | 41 |
| T2687 | 171-173 | http://purl.obolibrary.org/obo/CLO_0008307 | denotes | P2 |
| T76472 | 292-294 | http://purl.obolibrary.org/obo/CLO_0053794 | denotes | 41 |
| T47677 | 368-370 | http://purl.obolibrary.org/obo/CLO_0008307 | denotes | P2 |
| T57536 | 552-554 | http://purl.obolibrary.org/obo/CLO_0008307 | denotes | P2 |
| T68663 | 570-571 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
LitCovid-PD-CHEBI
| Id | Subject | Object | Predicate | Lexical cue | chebi_id |
|---|---|---|---|---|---|
| T363 | 40-42 | Chemical | denotes | S2 | http://purl.obolibrary.org/obo/CHEBI_29387 |
| T364 | 171-173 | Chemical | denotes | P2 | http://purl.obolibrary.org/obo/CHEBI_33472 |
| T365 | 174-177 | Chemical | denotes | Phe | http://purl.obolibrary.org/obo/CHEBI_17295|http://purl.obolibrary.org/obo/CHEBI_29997 |
| T367 | 368-370 | Chemical | denotes | P2 | http://purl.obolibrary.org/obo/CHEBI_33472 |
| T368 | 373-379 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
| T370 | 380-383 | Chemical | denotes | Leu | http://purl.obolibrary.org/obo/CHEBI_15603|http://purl.obolibrary.org/obo/CHEBI_25017|http://purl.obolibrary.org/obo/CHEBI_30006 |
| T373 | 384-393 | Chemical | denotes | inhibitor | http://purl.obolibrary.org/obo/CHEBI_35222 |
| T374 | 486-495 | Chemical | denotes | inhibitor | http://purl.obolibrary.org/obo/CHEBI_35222 |
| T375 | 496-502 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T376 | 552-554 | Chemical | denotes | P2 | http://purl.obolibrary.org/obo/CHEBI_33472 |
| T377 | 555-557 | Chemical | denotes | NH | http://purl.obolibrary.org/obo/CHEBI_29339|http://purl.obolibrary.org/obo/CHEBI_73424 |
| T379 | 572-580 | Chemical | denotes | hydrogen | http://purl.obolibrary.org/obo/CHEBI_49637 |
| T380 | 606-611 | Chemical | denotes | amide | http://purl.obolibrary.org/obo/CHEBI_29337|http://purl.obolibrary.org/obo/CHEBI_32988 |
| T382 | 641-647 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
| T384 | 720-727 | Chemical | denotes | methoxy | http://purl.obolibrary.org/obo/CHEBI_32772|http://purl.obolibrary.org/obo/CHEBI_44520 |
| T386 | 728-734 | Chemical | denotes | indole | http://purl.obolibrary.org/obo/CHEBI_16881|http://purl.obolibrary.org/obo/CHEBI_35581 |
| T388 | 764-770 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T389 | 778-786 | Chemical | denotes | hydrogen | http://purl.obolibrary.org/obo/CHEBI_49637 |
LitCovid-sentences
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T143 | 0-151 | Sentence | denotes | As suggested by molecular modeling, the S2 site appears to accommodate a variety of linear, branched, and cyclic alkyl moieties (entries 36 and 39–41). |
| T144 | 152-295 | Sentence | denotes | Interestingly, the P2 Phe derivative 42 displayed less potent inhibition of the SARS CoV-1 3CLpro than the corresponding saturated analogue 41. |
| T145 | 296-441 | Sentence | denotes | Also noteworthy is the large attenuation in enzyme inhibition seen with P2-N-methyl-Leu inhibitor 38 (IC50 = 83 nM) as compared to 4 (Ki = 4 nM). |
| T146 | 442-622 | Sentence | denotes | This loss of potency is consistent with the inhibitor ligand interactions observed with 2 and 4 that show the P2 NH involved in a hydrogen bond with the side-chain amide of Gln189. |
| T147 | 623-819 | Sentence | denotes | Additionally, the methyl substitution in 38 would be expected to alter the conformation of the 4-methoxy indole cap and perturb the observed ligand–enzyme hydrogen bond network present in 2 and 4. |
LitCovid-PubTator
| Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
|---|---|---|---|---|---|
| 577 | 232-240 | Species | denotes | SARS CoV | Tax:694009 |
| 578 | 171-173 | Chemical | denotes | P2 | MESH:C020845 |
| 579 | 174-177 | Chemical | denotes | Phe | MESH:D010649 |
| 580 | 368-383 | Chemical | denotes | P2-N-methyl-Leu | |
| 581 | 572-580 | Chemical | denotes | hydrogen | MESH:D006859 |
| 582 | 606-611 | Chemical | denotes | amide | MESH:D000577 |
| 583 | 615-621 | Chemical | denotes | Gln189 | |
| 584 | 718-734 | Chemical | denotes | 4-methoxy indole | |
| 585 | 778-786 | Chemical | denotes | hydrogen | MESH:D006859 |