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, cilt.7, sa.1, ss.141-150, 2017 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 7 Sayı: 1
  • Basım Tarihi: 2017
  • Doi Numarası: 10.15171/apb.2017.018
  • Dergi Adı: ADVANCED PHARMACEUTICAL BULLETIN
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.141-150
  • İstanbul Üniversitesi Adresli: Evet

Özet

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).