Article
Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.
Bioorganic & medicinal chemistry letters - 15 Jun 2010
Cai Haiyan, Yan Guirui, Zhang Xiaodong, Gorbenko Olena, Wang Heyao, Zhu Weiliang
Abstract excerpt
In this study, a series of small molecule inhibitors of human FABP4 were identified through virtual screening. Compound 1 is the most potent hit against FABP4 with a selectivity of more than 144-fold preferences over human FABP3. In addition, MD simulation and mutation studies revealed key residues for inhibitory potency and selectivity, which provides a guideline for further drug design against obesity, diabetes...
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