Basic and applied research of CH-O interaction

点击翻译按钮获取中文摘要

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.