Design of High-Affinity Stapled Peptides To Target the Repressor Activator Protein 1 (RAP1)/Telomeric Repeat-Binding Factor 2 (TRF2) Protein-Protein Interaction in the Shelterin Complex

J Med Chem. 2016 Jan 14;59(1):328-34. doi: 10.1021/acs.jmedchem.5b01465. Epub 2015 Dec 29.

Abstract

Shelterin, a six-protein complex, plays a fundamental role in protecting both the length and the stability of telomeres. Repressor activator protein 1 (RAP1) and telomeric repeat-binding factor 2 (TRF2) are two subunits in shelterin that interact with each other. Small-molecule inhibitors that block the RAP1/TRF2 protein-protein interaction can disrupt the structure of shelterin and may be employed as pharmacological tools to investigate the biology of shelterin. On the basis of the cocrystal structure of RAP1/TRF2 complex, we have developed first-in-class triazole-stapled peptides that block the protein-protein interaction between RAP1 and TRF2. Our most potent stapled peptide binds to RAP1 protein with a Ki value of 7 nM and is >100 times more potent than the corresponding wild-type TRF2 peptide. On the basis of our high-affinity peptides, we have developed and optimized a competitive, fluorescence polarization (FP) assay for accurate and rapid determination of the binding affinities of our designed compounds and this assay may also assist in the discovery of non-peptide, small-molecule inhibitors capable of blocking the RAP1/TRF2 protein-protein interaction.

MeSH terms

  • Crystallography, X-Ray
  • Fluorescent Dyes
  • Humans
  • Models, Molecular
  • Mutation / genetics
  • Peptides / chemical synthesis
  • Peptides / pharmacology
  • Protein Conformation
  • Shelterin Complex
  • Small Molecule Libraries
  • Telomere-Binding Proteins / drug effects*
  • Telomere-Binding Proteins / genetics
  • Telomeric Repeat Binding Protein 2 / drug effects*
  • Telomeric Repeat Binding Protein 2 / genetics
  • Triazoles / chemical synthesis
  • Triazoles / pharmacology

Substances

  • Fluorescent Dyes
  • Peptides
  • Shelterin Complex
  • Small Molecule Libraries
  • TERF2 protein, human
  • TERF2IP protein, human
  • Telomere-Binding Proteins
  • Telomeric Repeat Binding Protein 2
  • Triazoles