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PMC:7594251 / 98108-99628 JSONTXT 6 Projects

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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].