Selective inhibitors of human mPGES-1 from structure-based computational screening |
| |
| Authors: | Ziyuan Zhou Yaxia Yuan Shuo Zhou Kai Ding Fang Zheng Chang-Guo Zhan |
| |
| Institution: | 1. Molecular Modeling and Biopharmaceutical Center, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, United States;2. Department of Pharmaceutical Sciences, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, United States;3. Center for Pharmaceutical Research and Innovation, College of Pharmacy, University of Kentucky, 789 South Limestone Street, Lexington, KY 40536, United States;4. Department of Chemistry, University of Kentucky, 505 Rose Street, Lexington, KY 40506, United States |
| |
| Abstract: | Human mPGES-1 is recognized as a promising target for next generation of anti-inflammatory drugs. Although various mPGES-1 inhibitors have been reported in literature, few have entered clinical trials and none has been proven clinically useful so far. It is highly desired for developing the next generation of therapeutics for inflammation-related diseases to design and discover novel inhibitors of mPGES-1 with new scaffolds. Here, we report the identification of a series of new, potent and selective inhibitors of human mPGES-1 with diverse scaffolds through combined computational and experimental studies. The computationally modeled binding structures of these new inhibitors of mPGES-1 provide some interesting clues for rational design of modified structures of the inhibitors to more favorably bind with mPGES-1. |
| |
| Keywords: | Prostaglandin Inflammation Selective inhibitor Inhibitor identification |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
