In silico design of small peptide-based Hsp90 inhibitor: A novel anticancer agent

The predicted binding energy values showed that our designed novel peptide demonstrated strong binding affinity for Hsp90α. Subsequently, the binding affinity of Hsp90α for mutant p53 was shown to be reduced substantially indicating a strong inhibitory potential of the designed peptide PEP73 (INSAYKLKYARG) for Hsp90α.