PMC:7594251 / 98131-99628
Annnotations
LitCovid-PD-FMA-UBERON
Id | Subject | Object | Predicate | Lexical cue | fma_id |
---|---|---|---|---|---|
T212 | 178-185 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
T213 | 307-314 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
T214 | 394-401 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T685 | 83-84 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T686 | 155-156 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T687 | 855-856 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T688 | 977-978 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T689 | 1108-1109 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T23797 | 96-103 | Chemical | denotes | solvent | http://purl.obolibrary.org/obo/CHEBI_46787 |
T25837 | 178-185 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T75648 | 261-267 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T96730 | 307-314 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T53890 | 394-401 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T32855 | 442-449 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T55729 | 491-498 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T47776 | 537-555 | Chemical | denotes | triazolopyridazine | http://purl.obolibrary.org/obo/CHEBI_48384 |
T84009 | 571-578 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T62193 | 689-695 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T44312 | 696-701 | Chemical | denotes | group | http://purl.obolibrary.org/obo/CHEBI_24433 |
T25777 | 707-713 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T26250 | 726-732 | Chemical | denotes | proton | http://purl.obolibrary.org/obo/CHEBI_24636 |
T88957 | 738-744 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T85582 | 760-766 | Chemical | denotes | proton | http://purl.obolibrary.org/obo/CHEBI_24636 |
T46490 | 772-778 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T38398 | 796-801 | Chemical | denotes | water | http://purl.obolibrary.org/obo/CHEBI_15377 |
T94756 | 905-910 | Chemical | denotes | water | http://purl.obolibrary.org/obo/CHEBI_15377 |
T55063 | 911-920 | Chemical | denotes | molecules | http://purl.obolibrary.org/obo/CHEBI_25367 |
T3389 | 965-971 | Chemical | denotes | proton | http://purl.obolibrary.org/obo/CHEBI_24636 |
T5082 | 989-996 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T39367 | 1012-1030 | Chemical | denotes | triazolopyridazine | http://purl.obolibrary.org/obo/CHEBI_48384 |
T28009 | 1073-1078 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T17318 | 1148-1155 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T1462 | 1237-1244 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T73744 | 1309-1327 | Chemical | denotes | triazolopyridazine | http://purl.obolibrary.org/obo/CHEBI_48384 |
T45570 | 1336-1342 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T6158 | 1351-1363 | Chemical | denotes | methyl group | http://purl.obolibrary.org/obo/CHEBI_32875 |
T85158 | 1351-1357 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_29309 |
T13480 | 1358-1363 | Chemical | denotes | group | http://purl.obolibrary.org/obo/CHEBI_24433 |
T97666 | 1405-1410 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T70994 | 1411-1416 | Chemical | denotes | group | http://purl.obolibrary.org/obo/CHEBI_24433 |
T86094 | 1437-1445 | Chemical | denotes | hydrogen | http://purl.obolibrary.org/obo/CHEBI_49637 |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1058 | 405-409 | Gene | denotes | Brd4 | Gene:23476 |
1059 | 467-471 | Gene | denotes | Brd4 | Gene:23476 |
1060 | 624-628 | Gene | denotes | Brd4 | Gene:23476 |
1061 | 1482-1486 | Gene | denotes | Brd4 | Gene:23476 |
1062 | 1487-1490 | Gene | denotes | BD1 | Gene:1672 |
1063 | 472-475 | Gene | denotes | BD1 | Gene:1672 |
1064 | 410-413 | Gene | denotes | BD1 | Gene:1672 |
1065 | 537-555 | Chemical | denotes | triazolopyridazine | |
1066 | 796-801 | Chemical | denotes | water | MESH:D014867 |
1067 | 905-910 | Chemical | denotes | water | MESH:D014867 |
1068 | 1012-1030 | Chemical | denotes | triazolopyridazine | |
1069 | 1309-1327 | Chemical | denotes | triazolopyridazine | |
1070 | 1437-1445 | Chemical | denotes | hydrogen | MESH:D006859 |
1071 | 1472-1478 | Chemical | denotes | Asn140 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T644 | 0-118 | Sentence | denotes | Another variant of WaterLOGSY method called LOGSY utilizes the titration slopes as a measure of solvent accessibility. |
T645 | 119-201 | Sentence | denotes | The titration slopes are created by a constant increase of protein concentrations. |
T646 | 202-346 | Sentence | denotes | This method also provides more insight into the process of ligand solvation by checking the influence of protein concentration onto the process. |
T647 | 347-508 | Sentence | denotes | This approach was used on the bromodomain 1 of protein 4 (Brd4-BD1) by mapping epitopes of two ligands interacting with Brd4-BD1 and predicting ligands position. |
T648 | 509-629 | Sentence | denotes | The results showed that the triazolopyridazine moiety of both ligands was implanted into the binding pocket of the Brd4. |
T649 | 630-806 | Sentence | denotes | Additionally, the results from LOGSY titration showed that methyl-group 1 of ligand 1, aromatic proton 8 of ligand 2 and aromatic proton 8 of ligand 1 exhibit strong water NOE. |
T650 | 807-1036 | Sentence | denotes | This information enabled researchers to utilize a chemical replacement strategy (substitute bound water molecules by suitable functional groups) for aromatic proton 8 in a series of ligands containing the triazolopyridazine ring. |
T651 | 1037-1175 | Sentence | denotes | Those protons were replaced with an amino or aminomethyl groups and as a result, the binding affinity of those ligands increased 100-fold. |
T652 | 1176-1497 | Sentence | denotes | Finally, the results obtained from X-ray crystallography for ligands with such modifications allowed to find the binding mode of the triazolopyridazine ring of ligand 1 (with methyl group pointing internally) and the substituted amino group was found to create hydrogen bond to the side chain of Asn140 of Brd4-BD1 [402]. |