PMC:7594251 / 67805-68815
Annnotations
LitCovid-PD-FMA-UBERON
| Id | Subject | Object | Predicate | Lexical cue | fma_id |
|---|---|---|---|---|---|
| T33707 | 166-169 | Body_part | denotes | A2A | http://purl.org/sig/ont/fma/fma68761 |
| T71880 | 197-204 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
LitCovid-PD-MONDO
| Id | Subject | Object | Predicate | Lexical cue | mondo_id |
|---|---|---|---|---|---|
| T71 | 241-260 | Disease | denotes | Parkinson’s disease | http://purl.obolibrary.org/obo/MONDO_0005180 |
LitCovid-PD-CLO
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T483 | 0-1 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | A |
| T484 | 206-207 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
| T485 | 364-365 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
LitCovid-PD-CHEBI
| Id | Subject | Object | Predicate | Lexical cue | chebi_id |
|---|---|---|---|---|---|
| T98132 | 170-179 | Chemical | denotes | adenosine | http://purl.obolibrary.org/obo/CHEBI_16335 |
| T197 | 197-204 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
| T99382 | 208-212 | Chemical | denotes | drug | http://purl.obolibrary.org/obo/CHEBI_23888 |
| T199 | 351-360 | Chemical | denotes | molecules | http://purl.obolibrary.org/obo/CHEBI_25367 |
| T21421 | 550-557 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T2344 | 874-881 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
| T31331 | 988-992 | Chemical | denotes | drug | http://purl.obolibrary.org/obo/CHEBI_23888 |
LitCovid-PubTator
| Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
|---|---|---|---|---|---|
| 666 | 170-179 | Chemical | denotes | adenosine | MESH:D000241 |
| 667 | 241-260 | Disease | denotes | Parkinson’s disease | MESH:D010300 |
LitCovid-sentences
| Id | Subject | Object | Predicate | Lexical cue |
|---|---|---|---|---|
| T461 | 0-267 | Sentence | denotes | A prime example of the complementarity between NMR screening and virtual docking is found in the work of Chen et al. [331], in which the authors sought to target the A2A adenosine receptor (A2AAR) protein, a drug target for the treatment of Parkinson’s disease [332]. |
| T462 | 268-433 | Sentence | denotes | They used virtual screening and an NMR-based screening method against the same 500 molecules in a fragment library so they could compare the results of both methods. |
| T463 | 434-705 | Sentence | denotes | The virtual screen successfully predicted (based on calculated binding affinities) four out of the five orthosteric ligands discovered by NMR that were within the top 5% of the fragment library, showing that the two separate methods can give similar and reliable results. |
| T464 | 706-1010 | Sentence | denotes | Later on, Chen et al. discovered that virtual screening picked up three additional fragments that remained undetected by the NMR-based method, and were, in fact, A2AAR ligands; this shows that though neither method is flawless, they are still perfectly complementary approaches for drug design [322,331]. |