Development of inhibitors of the PAS-B domain of the HIF-2α transcription factor

J Med Chem. 2013 Feb 28;56(4):1739-47. doi: 10.1021/jm301847z. Epub 2013 Feb 18.

Abstract

Hypoxia inducible factors (HIFs) are heterodimeric transcription factors induced in a variety of pathophysiological settings, including cancer. We describe the first detailed structure-activity relationship study of small molecules designed to inhibit HIF-2α-ARNT heterodimerization by binding an internal cavity of the HIF-2α PAS-B domain. Through a series of biophysical characterizations of inhibitor-protein interactions (NMR and X-ray crystallography), we have established the structural requirements for artificial inhibitors of the HIF-2α-ARNT PAS-B interaction. These results may serve as a foundation for discovering therapeutic agents that function by a novel mode of action.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Aryl Hydrocarbon Receptor Nuclear Translocator / chemistry
  • Basic Helix-Loop-Helix Transcription Factors / antagonists & inhibitors*
  • Basic Helix-Loop-Helix Transcription Factors / chemistry
  • Basic Helix-Loop-Helix Transcription Factors / genetics
  • Crystallography, X-Ray
  • High-Throughput Screening Assays
  • Humans
  • Magnetic Resonance Spectroscopy
  • Models, Molecular
  • Molecular Structure
  • Mutation
  • Oxadiazoles / chemical synthesis
  • Oxadiazoles / chemistry
  • Protein Binding
  • Protein Multimerization
  • Protein Structure, Tertiary
  • Small Molecule Libraries / chemistry
  • Structure-Activity Relationship

Substances

  • ARNT protein, human
  • Basic Helix-Loop-Helix Transcription Factors
  • Oxadiazoles
  • Small Molecule Libraries
  • Aryl Hydrocarbon Receptor Nuclear Translocator
  • endothelial PAS domain-containing protein 1

Associated data

  • PDB/4GS9