PMC:7594251 / 97021-98106
Annnotations
LitCovid-PD-FMA-UBERON
Id | Subject | Object | Predicate | Lexical cue | fma_id |
---|---|---|---|---|---|
T211 | 427-434 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T682 | 336-342 | http://purl.obolibrary.org/obo/SO_0000418 | denotes | signal |
T683 | 383-389 | http://purl.obolibrary.org/obo/SO_0000418 | denotes | signal |
T684 | 959-960 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T652 | 37-43 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T653 | 68-74 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T654 | 233-238 | Chemical | denotes | probe | http://purl.obolibrary.org/obo/CHEBI_50406 |
T655 | 243-250 | Chemical | denotes | solvent | http://purl.obolibrary.org/obo/CHEBI_46787 |
T656 | 272-278 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T657 | 316-322 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T658 | 403-409 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T659 | 427-434 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T660 | 441-448 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T661 | 510-517 | Chemical | denotes | prodrug | http://purl.obolibrary.org/obo/CHEBI_50266 |
T662 | 603-610 | Chemical | denotes | quinone | http://purl.obolibrary.org/obo/CHEBI_36141 |
T663 | 925-935 | Chemical | denotes | asparagine | http://purl.obolibrary.org/obo/CHEBI_22653 |
T664 | 961-969 | Chemical | denotes | hydrogen | http://purl.obolibrary.org/obo/CHEBI_49637 |
T665 | 1021-1030 | Chemical | denotes | aziridine | http://purl.obolibrary.org/obo/CHEBI_30969 |
T666 | 1071-1078 | Chemical | denotes | solvent | http://purl.obolibrary.org/obo/CHEBI_46787 |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1032 | 597-601 | Gene | denotes | NQO2 | Gene:4835 |
1033 | 726-730 | Gene | denotes | NQO2 | Gene:4835 |
1034 | 525-535 | Chemical | denotes | tretazicar | MESH:C100099 |
1035 | 537-576 | Chemical | denotes | (5-(aziridin-1-yl)-2,4-dinitrobenzamide | MESH:C100099 |
1036 | 587-593 | Chemical | denotes | CB1954 | MESH:C100099 |
1037 | 704-714 | Chemical | denotes | tretazicar | MESH:C100099 |
1038 | 829-839 | Chemical | denotes | tretazicar | MESH:C100099 |
1039 | 925-935 | Chemical | denotes | asparagine | MESH:D001216 |
1040 | 961-969 | Chemical | denotes | hydrogen | MESH:D006859 |
1041 | 996-1006 | Chemical | denotes | tretazicar | MESH:C100099 |
1042 | 1021-1030 | Chemical | denotes | aziridine | MESH:C033132 |
1043 | 1041-1051 | Chemical | denotes | tretazicar | MESH:C100099 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T635 | 0-6 | Sentence | denotes | 3.6.5. |
T636 | 7-13 | Sentence | denotes | SALMON |
T637 | 14-191 | Sentence | denotes | Solvent accessibility, ligand binding, and mapping of ligand orientation by NMR spectroscopy (SALMON) is another method based on the data obtained via nuclear Overhauser effect. |
T638 | 192-450 | Sentence | denotes | This method utilizes WaterLOGSY [401] to probe for solvent accessibility to the ligand and determine the orientation of the ligand by analyzing signal changes in WaterLOGSY spectra (positive signal from unbound ligand vs. negative for protein-bound ligands). |
T639 | 451-642 | Sentence | denotes | This method was first used to determine the orientation of prodrug called tretazicar ((5-(aziridin-1-yl)-2,4-dinitrobenzamide) known as CB1954 in NQO2 (quinone oxidoreductase 2) binding site. |
T640 | 643-858 | Sentence | denotes | Previous attempts had been made to obtain the orientation of tretazicar bounded to NQO2, however the results obtained from X-ray crystallography were inconclusive as two orientations of tretazicar could be possible. |
T641 | 859-1085 | Sentence | denotes | The information obtained via SALMON showed that the side chain of asparagine at position 161 formed a hydrogen bond with 2-nitrogroup of tretazicar, and that the aziridine moiety of tretazicar pointed toward the solvent [401]. |