Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulations

Computational Studies of Difference in Binding Modes of Peptide and Non-Peptide Inhibitors to MDM2/MDMX Based on Molecular Dynamics Simulations

Inhibition of p53-MDM2/MDMX interaction is considered to be a promising strategy for anticancer drug design to activate wild-type p53 in tumors. We carry out molecular dynamics (MD) simulations to study the binding mechanisms of peptide and non-peptide inhibitors to MDM2/MDMX. The rank of binding fr...

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Bibliographic Details
Main Authors: Yuxin Zhang, Guohui Li, Jianzhong Chen, Dinglin Zhang
Format: Article
Language:English
Published: MDPI AG 2012-02-01
Series:International Journal of Molecular Sciences
Subjects:
p53-MDM2/MDMX interaction
molecular dynamics simulation
binding free energy
alanine scanning
Online Access:http://www.mdpi.com/1422-0067/13/2/2176/

Internet

http://www.mdpi.com/1422-0067/13/2/2176/

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