Structural Insights into the Molecular Design of HER2 Inhibitors

Background: The present study was aimed at designing some potential candidates as HER2 inhibitors used in breast cancer. Methods: An energy optimized pharmacophore (E-pharmacophore) model was developed and used to screen the molecular databases (such as ASINEX and NCI databases) against a six site (ADHRRR) hypothesis. The shape similarity of the retrieved hits was calculated and

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