PMC:7441777 / 32946-33475
Annnotations
LitCovid-PD-FMA-UBERON
| Id | Subject | Object | Predicate | Lexical cue | fma_id |
|---|---|---|---|---|---|
| T52 | 445-453 | Body_part | denotes | backbone | http://purl.org/sig/ont/fma/fma13478 |
LitCovid-PD-CLO
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T202 | 17-18 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
LitCovid-PD-CHEBI
| Id | Subject | Object | Predicate | Lexical cue | chebi_id |
|---|---|---|---|---|---|
| T453 | 58-69 | Chemical | denotes | polyphenols | http://purl.obolibrary.org/obo/CHEBI_26195 |
| T454 | 74-84 | Chemical | denotes | remdesivir | http://purl.obolibrary.org/obo/CHEBI_145994 |
| T455 | 156-167 | Chemical | denotes | polyphenols | http://purl.obolibrary.org/obo/CHEBI_26195 |
| T456 | 194-196 | Chemical | denotes | MM | http://purl.obolibrary.org/obo/CHEBI_53458|http://purl.obolibrary.org/obo/CHEBI_74707 |
| T458 | 310-319 | Chemical | denotes | inhibitor | http://purl.obolibrary.org/obo/CHEBI_35222 |
LitCovid-PubTator
| Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
|---|---|---|---|---|---|
| 802 | 53-57 | Gene | denotes | RdRp | Gene:43740578 |
| 803 | 58-69 | Chemical | denotes | polyphenols | MESH:D059808 |
| 804 | 74-84 | Chemical | denotes | remdesivir | MESH:C000606551 |
| 805 | 156-167 | Chemical | denotes | polyphenols | MESH:D059808 |
LitCovid-sentences
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T309 | 0-209 | Sentence | denotes | Further, to gain a deeper insight into the best four RdRp/polyphenols and remdesivir interaction pattern, the total binding free energy was decomposed into polyphenols-residue pair based on the MM-GBSA scheme. |
| T310 | 210-400 | Sentence | denotes | The approach of per-residue based contributions is useful to determine the binding mechanisms of an inhibitor at an atomistic level, and it also reveals the individual residue contributions. |
| T311 | 401-529 | Sentence | denotes | The different energy contributions from the backbone and side-chain of each residue are shown in Figure 5 and listed in Table 5. |