In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors

In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors

Fructose 1,6-bisphosphatase (FBPase) has been identified as a drug discovery target for lowering glucose in type 2 diabetes mellitus. In this study, a large series of 105 FBPase inhibitors were studied using a combinational method by 3D-QSAR, molecular docking and molecular dynamics simulations for...

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Bibliographic Details
Main Authors: Fang Luo, Guohui Li, Mingjuan Ji, Shuwei Zhang, Hong Ren, Ling Yang, Yan Li, Xiaole Zhang, Ming Hao
Format: Article
Language:English
Published: MDPI AG 2011-11-01
Series:International Journal of Molecular Sciences
Subjects:
3D-QSAR
molecular dynamics
FBPase inhibitors
CoMFA
CoMSIA
Online Access:http://www.mdpi.com/1422-0067/12/11/8161/

Internet

http://www.mdpi.com/1422-0067/12/11/8161/

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