PMC:7441777 / 12545-13255
Annnotations
LitCovid-PD-MONDO
| Id | Subject | Object | Predicate | Lexical cue | mondo_id |
|---|---|---|---|---|---|
| T47 | 122-130 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
| T48 | 442-450 | Disease | denotes | SARS-CoV | http://purl.obolibrary.org/obo/MONDO_0005091 |
LitCovid-PD-CLO
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T84 | 241-242 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
| T85 | 372-373 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
| T86 | 387-388 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
| T87 | 394-395 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
| T88 | 401-402 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
| T89 | 417-420 | http://purl.obolibrary.org/obo/CLO_0001053 | denotes | 121 |
| T90 | 432-433 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | Å |
LitCovid-PD-CHEBI
| Id | Subject | Object | Predicate | Lexical cue | chebi_id |
|---|---|---|---|---|---|
| T208 | 50-61 | Chemical | denotes | polyphenols | http://purl.obolibrary.org/obo/CHEBI_26195 |
| T209 | 63-73 | Chemical | denotes | remdesivir | http://purl.obolibrary.org/obo/CHEBI_145994 |
| T210 | 79-82 | Chemical | denotes | GTP | http://purl.obolibrary.org/obo/CHEBI_15996|http://purl.obolibrary.org/obo/CHEBI_37565 |
| T212 | 187-193 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T213 | 290-294 | Chemical | denotes | atom | http://purl.obolibrary.org/obo/CHEBI_33250 |
| T214 | 316-323 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T215 | 515-521 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T216 | 664-670 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T217 | 671-679 | Chemical | denotes | molecule | http://purl.obolibrary.org/obo/CHEBI_25367 |
LitCovid-PubTator
| Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
|---|---|---|---|---|---|
| 343 | 114-118 | Gene | denotes | RdRp | Gene:43740578 |
| 344 | 453-457 | Gene | denotes | RdRp | Gene:43740578 |
| 345 | 122-132 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
| 346 | 442-452 | Species | denotes | SARS-CoV-2 | Tax:2697049 |
| 347 | 50-61 | Chemical | denotes | polyphenols | MESH:D059808 |
| 348 | 63-73 | Chemical | denotes | remdesivir | MESH:C000606551 |
| 349 | 79-82 | Chemical | denotes | GTP | MESH:D006160 |
LitCovid-sentences
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T138 | 0-182 | 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 | 183-371 | 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 | 372-495 | 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 | 496-585 | Sentence | denotes | After the receptor-ligand preparation, docking runs were started from the command prompt. |
| T142 | 586-710 | Sentence | denotes | The lowest binding energy and best-docked conformation were considered as the ligand molecule with maximum binding affinity. |