Structural Determination of Three Different Series of Compounds as Hsp90 Inhibitors Using 3D-QSAR Modeling, Molecular Docking and Molecular Dynamics Methods

Structural Determination of Three Different Series of Compounds as Hsp90 Inhibitors Using 3D-QSAR Modeling, Molecular Docking and Molecular Dynamics Methods

Hsp90 is involved in correcting, folding, maturation and activation of a diverse array of client proteins; it has also been implicated in the treatment of cancer in recent years. In this work, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA), m...

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Bibliographic Details
Main Authors: Xia Wang, Yonghua Wang, Zhi Ma, Fangfang Wang, Jianling Liu
Format: Article
Language:English
Published: MDPI AG 2011-01-01
Series:International Journal of Molecular Sciences
Subjects:
Hsp90
3D-QSAR
CoMFA
CoMSIA
molecular docking
molecular dynamics
Online Access:http://www.mdpi.com/1422-0067/12/2/946/

Internet

http://www.mdpi.com/1422-0067/12/2/946/

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