Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators

J Med Chem. 2012 May 24;55(10):4640-51. doi: 10.1021/jm300460c. Epub 2012 May 16.

Abstract

The vitamin D receptor (VDR) is a nuclear hormone receptor that regulates cell proliferation, cell differentiation, and calcium homeostasis. The receptor is activated by vitamin D analogues that induce the disruption of VDR-corepressor binding and promote VDR-coactivator interactions. The interactions between VDR and coregulators are essential for VDR-mediated transcription. Small molecule inhibition of VDR-coregulator binding represents an alternative method to the traditional ligand-based approach in order to modulate the expression of VDR target genes. A high throughput fluorescence polarization screen that quantifies the inhibition of binding between VDR and a fluorescently labeled steroid receptor coactivator 2 peptide was applied to discover the new small molecule VDR-coactivator inhibitors, 3-indolylmethanamines. Structure-activity relationship studies with 3-indolylmethanamine analogues were used to determine their mode of VDR-binding and to produce the first VDR-selective and irreversible VDR-coactivator inhibitors with the ability to regulate the transcription of the human VDR target gene TRPV6.

Publication types

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

MeSH terms

  • Cell Line
  • High-Throughput Screening Assays
  • Humans
  • Indoles / chemical synthesis*
  • Indoles / chemistry
  • Indoles / pharmacology
  • Membranes, Artificial
  • Methylamines / chemical synthesis*
  • Methylamines / chemistry
  • Methylamines / pharmacology
  • Nuclear Receptor Coactivator 2 / antagonists & inhibitors
  • Nuclear Receptor Coactivator 2 / metabolism
  • Nuclear Receptor Coactivator 3 / antagonists & inhibitors
  • Nuclear Receptor Coactivator 3 / metabolism
  • Nuclear Receptor Coactivators / antagonists & inhibitors*
  • Nuclear Receptor Coactivators / metabolism
  • Permeability
  • Protein Binding
  • Receptors, Calcitriol / antagonists & inhibitors*
  • Receptors, Calcitriol / metabolism
  • Solubility
  • Structure-Activity Relationship
  • TRPV Cation Channels / genetics
  • Transcription, Genetic / drug effects

Substances

  • Indoles
  • Membranes, Artificial
  • Methylamines
  • Nuclear Receptor Coactivator 2
  • Nuclear Receptor Coactivators
  • Receptors, Calcitriol
  • TRPV Cation Channels
  • TRPV6 channel
  • Nuclear Receptor Coactivator 3