Inhibition of protein-protein interaction of HER2-EGFR and HER2-HER3 by a rationally designed peptidomimetic

J Biomol Struct Dyn. 2012;30(5):594-606. doi: 10.1080/07391102.2012.687525. Epub 2012 Jun 26.

Abstract

Protein-protein interactions (PPI) play a crucial role in many biological processes and modulation of PPI using small molecules to target hot spots has therapeutic value. As a model system we will use PPI of human epidermal growth factor receptors (EGFRs). Among the four EGFRs, EGFR-HER2 and HER2-HER3 are well known in cancer. We have designed a small molecule that is targeted to modulate HER2-mediated signaling. Our approach is novel because the small molecule designed disrupts dimerization not only of EGFR-HER2, but also of HER2-HER3. In the present study we have shown, using surface plasmon resonance analysis, that a peptidomimetic, compound 5, binds specifically to HER2 protein extracellular domain and disrupts the dimerization of EGFRs. To evaluate the effect of compound 5 on HER2 signaling in vitro, Western blot and PathHunter assays were used. Results indicated that compound 5 inhibits the phosphorylation of HER2 kinase domain and inhibits the heterodimerization in a dose-dependent manner. Molecular modeling methods were used to model the PPI of HER2-HER3 heterodimer.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Cell Line, Tumor
  • Circular Dichroism
  • Drug Design
  • ErbB Receptors / metabolism*
  • Humans
  • Models, Molecular
  • Oligopeptides / chemistry
  • Oligopeptides / metabolism*
  • Oligopeptides / pharmacology
  • Peptidomimetics / chemistry
  • Peptidomimetics / metabolism*
  • Peptidomimetics / pharmacology*
  • Protein Binding
  • Protein Interaction Domains and Motifs
  • Protein Multimerization
  • Protein Structure, Tertiary
  • Receptor, ErbB-2 / chemistry
  • Receptor, ErbB-2 / metabolism*
  • Receptor, ErbB-3 / chemistry
  • Receptor, ErbB-3 / metabolism*
  • Signal Transduction
  • Surface Plasmon Resonance

Substances

  • Oligopeptides
  • Peptidomimetics
  • arginyl-(3-amino-3-(napthyl)-propionic acid)phenylalanine
  • ErbB Receptors
  • Receptor, ErbB-2
  • Receptor, ErbB-3