PMC:7441777 / 12501-13255
Annnotations
LitCovid-PD-MONDO
| Id | Subject | Object | Predicate | Lexical cue | mondo_id |
|---|---|---|---|---|---|
| T47 | 166-174 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
| T48 | 486-494 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
LitCovid-PD-CLO
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T84 | 285-286 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
| T85 | 416-417 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
| T86 | 431-432 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
| T87 | 438-439 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
| T88 | 445-446 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
| T89 | 461-464 | http://purl.obolibrary.org/obo/CLO_0001053 | denotes | 121 |
| T90 | 476-477 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
LitCovid-PD-CHEBI
| Id | Subject | Object | Predicate | Lexical cue | chebi_id |
|---|---|---|---|---|---|
| T208 | 94-105 | Chemical | denotes | polyphenols | http://purl.obolibrary.org/obo/CHEBI_26195 |
| T209 | 107-117 | Chemical | denotes | remdesivir | http://purl.obolibrary.org/obo/CHEBI_145994 |
| T210 | 123-126 | Chemical | denotes | GTP | http://purl.obolibrary.org/obo/CHEBI_15996|http://purl.obolibrary.org/obo/CHEBI_37565 |
| T212 | 231-237 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T213 | 334-338 | Chemical | denotes | atom | http://purl.obolibrary.org/obo/CHEBI_33250 |
| T214 | 360-367 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T215 | 559-565 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T216 | 708-714 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T217 | 715-723 | Chemical | denotes | molecule | http://purl.obolibrary.org/obo/CHEBI_25367 |
LitCovid-PubTator
| Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
|---|---|---|---|---|---|
| 343 | 158-162 | Gene | denotes | RdRp | Gene:43740578 |
| 344 | 497-501 | Gene | denotes | RdRp | Gene:43740578 |
| 345 | 166-176 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
| 346 | 486-496 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
| 347 | 94-105 | Chemical | denotes | polyphenols | MESH:D059808 |
| 348 | 107-117 | Chemical | denotes | remdesivir | MESH:C000606551 |
| 349 | 123-126 | Chemical | denotes | GTP | MESH:D006160 |
LitCovid-sentences
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T136 | 0-6 | Sentence | denotes | 2.1.3. |
| T137 | 8-43 | Sentence | denotes | Docking studies using AutoDock Vina |
| T138 | 44-226 | Sentence | denotes | The energy-minimized structure of all the natural polyphenols, remdesivir, and GTP were docked with the receptor (RdRp of SARS-CoV-2) using AutoDock Vina 1.1.2 (Trott & Olson, 2010). |
| T139 | 227-415 | Sentence | denotes | The ligand files were further saved in PDBQT file format, a modified PDB format containing atomic charges, atom type definitions for ligands, and topological information (rotatable bonds). |
| T140 | 416-539 | Sentence | denotes | A grid box (30 Å × 30 Å × 30 Å) centered at (121, 120, 125) Å for the SARS-CoV-2 RdRp, was used in the docking experiments. |
| T141 | 540-629 | Sentence | denotes | After the receptor-ligand preparation, docking runs were started from the command prompt. |
| T142 | 630-754 | Sentence | denotes | The lowest binding energy and best-docked conformation were considered as the ligand molecule with maximum binding affinity. |