Ontology highlight
ABSTRACT:
SUBMITTER: Chen J
PROVIDER: S-EPMC3292015 | biostudies-literature | 2012
REPOSITORIES: biostudies-literature
Chen Jianzhong J Zhang Dinglin D Zhang Yuxin Y Li Guohui G
International journal of molecular sciences 20120217 2
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 free energies calculated by molecular mechanics generalized Born surface area (MM-GBSA) method agrees with one of the experimental values. The results suggest that van der Waals energy drives two kinds ...[more]