2013 Fiscal Year Final Research Report
Basic and applied research of CH-O interaction
| Project/Area Number |
23659012
|
|---|
| Research Category |
Grant-in-Aid for Challenging Exploratory Research
|
| Allocation Type | Multi-year Fund |
|---|
| Research Field |
Chemical pharmacy
|
|---|
| Research Institution | Kyoto Prefectural University of Medicine |
|---|
Principal Investigator |
SUZUKI Takayoshi 京都府立医科大学, 医学(系)研究科(研究院), 教授 (90372838)
|
|---|
| Project Period (FY) |
2011 – 2013
|
| Keywords | 水素結合 / タンパク質 / リガンド / 酵素 / 阻害剤 |
|---|
| Research Abstract |
Initially, we surveyed the published data of X-ray crystal structures of proteins complexed with small molecule ligands containing amino groups. It revealed that there are many examples of distance shorter than the sum of van der Waals radii of hydrogen and oxygen between the C-H proton of the ligand and the oxygen of the protein. The results of the survey suggest the existence of CH-O hydrogen bonds in protein-ligand binding. Next, we attempted to demonstrate experimentally the importance of CH-O hydrogen bonds in protein-ligand binding. We focused on an enzyme-inhibitor complex. We synthesized compounds that lack C-H groups. The derivatives showed enzyme inhibition weaker than the parent compound indicating the significance of CH-O hydrogen bonds in the enzyme-inhibitor binding.
|
