Characterizing the Hot Spots Involved in RON-MSP beta Complex Formation Using In Silico Alanine Scanning Mutagenesis and Molecular Dynamics Simulation


Zarei O., Hamzeh-Mivehroud M., Benvenuti S., Ustun-Alkan F. , Dastmalchi S.

ADVANCED PHARMACEUTICAL BULLETIN, vol.7, no.1, pp.141-150, 2017 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 7 Issue: 1
  • Publication Date: 2017
  • Doi Number: 10.15171/apb.2017.018
  • Title of Journal : ADVANCED PHARMACEUTICAL BULLETIN
  • Page Numbers: pp.141-150

Abstract

Purpose: Implication of protein-protein interactions (PPIs) in development of many diseases such as cancer makes them attractive for therapeutic intervention and rational drug design. RON (Recepteur d'Origine Nantais) tyrosine kinase receptor has gained considerable attention as promising target in cancer therapy. The activation of RON via its ligand, macrophage stimulation protein (MSP) is the most common mechanism of activation for this receptor. The aim of the current study was to perform in silico alanine scanning mutagenesis and to calculate binding energy for prediction of hot spots in proteinprotein interface between RON and MSP beta chain (MSP beta).