Discovery of cannabinoid-1 receptor antagonists by virtual screening |
| |
| Authors: | Gil Nam Lee Kwang Rok Kim Sung-Hoon Ahn Myung Ae Bae Nam Sook Kang |
| |
| Affiliation: | Drug Discovery Platform Technology Team, Korea Research Institute of Chemical Technology, PO Box 107, Yuseong-gu, Daejeon 305-600, Republic of Korea |
| |
| Abstract: | In this work, we tried to find a new scaffold for a CB1 receptor antagonist using virtual screening. We first analyzed structural features for the known cannabinoid-1 receptor antagonists and, then, we built pharmacophore models using the HipHop concept and carried out a docking study based on our homology CB1 receptor 3D structure. The most active compound, including thiazole-4-one moiety, showed an activity value of 125 nM IC50, with a good PK profile. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
