| 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]. |
