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Article

Combined Virtual Screening and Substructure Search for Discovery of Novel FABP4 Inhibitors.

Journal of chemical information and modeling - 25 Sept 2017

Cai Haiyan, Wang Ting, Yang Zhuo, Xu Zhijian, Wang Guimin, Wang He-Yao, Zhu Weiliang, Chen Kaixian

Abstract excerpt

Fatty acid-binding protein 4 (FABP4, AFABP) is a potential drug target for diabetes and atherosclerosis. In this study, a series of novel FABP4 inhibitors were discovered through combining virtual screening and substructure search. Seventeen compounds exhibited FABP4 inhibitory activities with IC50 < 10 μM, among which 11 compounds showed high selectivity against FABP3. The best compound 36b displayed an IC50...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Source

Identifiers

PMID: 28810126
DOI: 10.1021/acs.jcim.7b00364

Genes

FABP4
FABP3

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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