Literature DB >> 20471252

Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.

Haiyan Cai1, Guirui Yan, Xiaodong Zhang, Olena Gorbenko, Heyao Wang, Weiliang Zhu.   

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. Copyright 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID: 20471252     DOI: 10.1016/j.bmcl.2010.04.095

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN: 0960-894X            Impact factor:   2.823


  8 in total

1.  Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).

Authors:  Javier M González; S Zoë Fisher
Journal:  Acta Crystallogr F Struct Biol Commun       Date:  2015-01-28       Impact factor: 1.056

2.  Benzbromarone, an old uricosuric drug, inhibits human fatty acid binding protein 4 in vitro and lowers the blood glucose level in db/db mice.

Authors:  Hai-yan Cai; Ting Wang; Jian-chun Zhao; Peng Sun; Gui-rui Yan; Hai-peng Ding; Ying-xia Li; He-yao Wang; Wei-liang Zhu; Kai-xian Chen
Journal:  Acta Pharmacol Sin       Date:  2013-09-30       Impact factor: 6.150

3.  Small-molecule inhibitors of FABP4/5 ameliorate dyslipidemia but not insulin resistance in mice with diet-induced obesity.

Authors:  Hong Lan; Cliff C Cheng; Timothy J Kowalski; Ling Pang; Lixin Shan; Cheng-Chi Chuang; James Jackson; Alberto Rojas-Triana; Loretta Bober; Li Liu; Johannes Voigt; Peter Orth; Xianshu Yang; Gerald W Shipps; Joseph A Hedrick
Journal:  J Lipid Res       Date:  2011-02-04       Impact factor: 5.922

Review 4.  Hit identification and optimization in virtual screening: practical recommendations based on a critical literature analysis.

Authors:  Tian Zhu; Shuyi Cao; Pin-Chih Su; Ram Patel; Darshan Shah; Heta B Chokshi; Richard Szukala; Michael E Johnson; Kirk E Hevener
Journal:  J Med Chem       Date:  2013-06-07       Impact factor: 7.446

5.  Computational Tools in the Discovery of FABP4 Ligands: A Statistical and Molecular Modeling Approach.

Authors:  Giuseppe Floresta; Davide Gentile; Giancarlo Perrini; Vincenzo Patamia; Antonio Rescifina
Journal:  Mar Drugs       Date:  2019-10-31       Impact factor: 5.118

6.  Development of a radioiodinated triazolopyrimidine probe for nuclear medical imaging of fatty acid binding protein 4.

Authors:  Kantaro Nishigori; Takashi Temma; Satoru Onoe; Sotaro Sampei; Ikuo Kimura; Masahiro Ono; Hideo Saji
Journal:  PLoS One       Date:  2014-04-14       Impact factor: 3.240

7.  Synthesis, activity, and docking study of phenylthiazole acids as potential agonists of PPARγ.

Authors:  Liang Ma; Taijin Wang; Min Shi; Haoyu Ye
Journal:  Drug Des Devel Ther       Date:  2016-05-30       Impact factor: 4.162

8.  Molecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5.

Authors:  Fangfang Yan; Xinguo Liu; Shaolong Zhang; Jing Su; Qinggang Zhang; Jianzhong Chen
Journal:  Int J Mol Sci       Date:  2018-08-23       Impact factor: 5.923

  8 in total

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