PMC:7594251 / 98108-99628
Annnotations
LitCovid-PD-FMA-UBERON
Id | Subject | Object | Predicate | Lexical cue | fma_id |
---|---|---|---|---|---|
T212 | 201-208 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
T213 | 330-337 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
T214 | 417-424 | Body_part | denotes | protein | http://purl.org/sig/ont/fma/fma67257 |
LitCovid-PD-CLO
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T685 | 106-107 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T686 | 178-179 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T687 | 878-879 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T688 | 1000-1001 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
T689 | 1131-1132 | http://purl.obolibrary.org/obo/CLO_0001020 | denotes | a |
LitCovid-PD-CHEBI
Id | Subject | Object | Predicate | Lexical cue | chebi_id |
---|---|---|---|---|---|
T23797 | 119-126 | Chemical | denotes | solvent | http://purl.obolibrary.org/obo/CHEBI_46787 |
T25837 | 201-208 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T75648 | 284-290 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T96730 | 330-337 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T53890 | 417-424 | Chemical | denotes | protein | http://purl.obolibrary.org/obo/CHEBI_36080 |
T32855 | 465-472 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T55729 | 514-521 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T47776 | 560-578 | Chemical | denotes | triazolopyridazine | http://purl.obolibrary.org/obo/CHEBI_48384 |
T84009 | 594-601 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T62193 | 712-718 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_32875|http://purl.obolibrary.org/obo/CHEBI_29309 |
T44312 | 719-724 | Chemical | denotes | group | http://purl.obolibrary.org/obo/CHEBI_24433 |
T25777 | 730-736 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T26250 | 749-755 | Chemical | denotes | proton | http://purl.obolibrary.org/obo/CHEBI_24636 |
T88957 | 761-767 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T85582 | 783-789 | Chemical | denotes | proton | http://purl.obolibrary.org/obo/CHEBI_24636 |
T46490 | 795-801 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T38398 | 819-824 | Chemical | denotes | water | http://purl.obolibrary.org/obo/CHEBI_15377 |
T94756 | 928-933 | Chemical | denotes | water | http://purl.obolibrary.org/obo/CHEBI_15377 |
T55063 | 934-943 | Chemical | denotes | molecules | http://purl.obolibrary.org/obo/CHEBI_25367 |
T3389 | 988-994 | Chemical | denotes | proton | http://purl.obolibrary.org/obo/CHEBI_24636 |
T5082 | 1012-1019 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T39367 | 1035-1053 | Chemical | denotes | triazolopyridazine | http://purl.obolibrary.org/obo/CHEBI_48384 |
T28009 | 1096-1101 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T17318 | 1171-1178 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T1462 | 1260-1267 | Chemical | denotes | ligands | http://purl.obolibrary.org/obo/CHEBI_52214 |
T73744 | 1332-1350 | Chemical | denotes | triazolopyridazine | http://purl.obolibrary.org/obo/CHEBI_48384 |
T45570 | 1359-1365 | Chemical | denotes | ligand | http://purl.obolibrary.org/obo/CHEBI_52214 |
T6158 | 1374-1386 | Chemical | denotes | methyl group | http://purl.obolibrary.org/obo/CHEBI_32875 |
T85158 | 1374-1380 | Chemical | denotes | methyl | http://purl.obolibrary.org/obo/CHEBI_29309 |
T13480 | 1381-1386 | Chemical | denotes | group | http://purl.obolibrary.org/obo/CHEBI_24433 |
T97666 | 1428-1433 | Chemical | denotes | amino | http://purl.obolibrary.org/obo/CHEBI_46882 |
T70994 | 1434-1439 | Chemical | denotes | group | http://purl.obolibrary.org/obo/CHEBI_24433 |
T86094 | 1460-1468 | Chemical | denotes | hydrogen | http://purl.obolibrary.org/obo/CHEBI_49637 |
LitCovid-PubTator
Id | Subject | Object | Predicate | Lexical cue | tao:has_database_id |
---|---|---|---|---|---|
1058 | 428-432 | Gene | denotes | Brd4 | Gene:23476 |
1059 | 490-494 | Gene | denotes | Brd4 | Gene:23476 |
1060 | 647-651 | Gene | denotes | Brd4 | Gene:23476 |
1061 | 1505-1509 | Gene | denotes | Brd4 | Gene:23476 |
1062 | 1510-1513 | Gene | denotes | BD1 | Gene:1672 |
1063 | 495-498 | Gene | denotes | BD1 | Gene:1672 |
1064 | 433-436 | Gene | denotes | BD1 | Gene:1672 |
1065 | 560-578 | Chemical | denotes | triazolopyridazine | |
1066 | 819-824 | Chemical | denotes | water | MESH:D014867 |
1067 | 928-933 | Chemical | denotes | water | MESH:D014867 |
1068 | 1035-1053 | Chemical | denotes | triazolopyridazine | |
1069 | 1332-1350 | Chemical | denotes | triazolopyridazine | |
1070 | 1460-1468 | Chemical | denotes | hydrogen | MESH:D006859 |
1071 | 1495-1501 | Chemical | denotes | Asn140 |
LitCovid-sentences
Id | Subject | Object | Predicate | Lexical cue |
---|---|---|---|---|
T642 | 0-6 | Sentence | denotes | 3.6.6. |
T643 | 7-22 | Sentence | denotes | LOGSY Titration |
T644 | 23-141 | Sentence | denotes | Another variant of WaterLOGSY method called LOGSY utilizes the titration slopes as a measure of solvent accessibility. |
T645 | 142-224 | Sentence | denotes | The titration slopes are created by a constant increase of protein concentrations. |
T646 | 225-369 | 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 | 370-531 | 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 | 532-652 | Sentence | denotes | The results showed that the triazolopyridazine moiety of both ligands was implanted into the binding pocket of the Brd4. |
T649 | 653-829 | 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 | 830-1059 | 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 | 1060-1198 | 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 | 1199-1520 | 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]. |