Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening
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Updated: Jun 13, 2026

Visualization and Quantification of Mesenchymal Cell Adipogenic Differentiation Potential with a Lineage Specific Marker
Published on: March 31, 2018
Haiyan Cai1, Guirui Yan, Xiaodong Zhang
1Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China.
Abstract:
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 and atherosclerosis.
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