Peptide probes derived from pertuzumab by molecular dynamics modeling for HER2 positive tumor imaging.
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ABSTRACT:
SUBMITTER: Yang X
PROVIDER: S-EPMC5390981 | biostudies-literature | 2017 Apr
REPOSITORIES: biostudies-literature
Publications
Peptide probes derived from pertuzumab by molecular dynamics modeling for HER2 positive tumor imaging.
Yang Xiaoliang X Wang Zihua Z Xiang Zhichu Z Li Dan D Hu Zhiyuan Z Cui Wei W Geng Lingling L Fang Qiaojun Q
PLoS computational biology 20170413 4
A high level of HER2 expression in breast cancer correlates with a higher tumor growth rate, high metastatic potential, and a poor long-term patient survival rate. Pertuzumab, a human monoclonal antibody, can reduce the effect of HER2 overexpression by preventing HER2 dimerization. In this study, a combination protocol of molecular dynamics modeling and MM/GBSA binding free energy calculations was applied to design peptides that interact with HER2 based on the HER2/pertuzumab crystal structure. ...[more]
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