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

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

Designing highly selective inhibitors of fatty acid binding proteins 4 and 5 (FABP4 and FABP5) is of importance for treatment of some diseases related with inflammation, metabolism, and tumor growth. In this study, molecular dynamics (MD) simulations combined with molecular mechanics generalized Bor...

Full description

Bibliographic Details
Main Authors: Fangfang Yan, Xinguo Liu, Shaolong Zhang, Jing Su, Qinggang Zhang, Jianzhong Chen
Format: Article
Language:English
Published: MDPI AG 2018-08-01
Series:International Journal of Molecular Sciences
Subjects:
molecular dynamics simulations
MM-GBSA
principal component analysis
fatty acid binding proteins (FABPs)
arteriosclerosis
metabolic disease
Online Access:http://www.mdpi.com/1422-0067/19/9/2496

Internet

http://www.mdpi.com/1422-0067/19/9/2496

Similar Items