Discovery of an inhibitor of a transcription factor using small molecule microarrays and diversity-oriented synthesis

J Am Chem Soc. 2003 Jul 16;125(28):8420-1. doi: 10.1021/ja0352698.

Abstract

Small molecule microarrays were screened to identify a small molecule ligand for Hap3p, a subunit of the yeast Hap2/3/4/5p transcription factor complex. The compound, named haptamide A, was determined to have a KD of 5.03 muM for binding to Hap3p using surface plasmon resonance analysis. Haptamide A also inhibited activation of a GDH1-lacZ reporter gene in a dose-dependent fashion. To explore structure-activity relationships, 11 derivatives of haptamide A were prepared using the same synthetic route that was developed for the original library synthesis. Analysis of dissociation constants and IC50 values for the reporter gene assay revealed a more potent inhibitor, haptamide B, with a KD of 330 nM. Whole-genome transcriptional profiling was used to compare effects of haptamide B with a hap3Delta yeast strain. Treatment with haptamide B, like the deletion mutant, reduced lactate-induced transcription of several genes from wild-type levels. Profiling the genetic "knockout" and the chemical genetic "knockdown" led to the identification of several genes that are regulated by Hap3p under nonfermentative conditions. These results demonstrate that a small molecule discovered using the small molecule microarray binding assay can permeate yeast cells and reach its target transcription factor protein in cells.

Publication types

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

MeSH terms

  • Amides / chemical synthesis
  • Amides / metabolism
  • Amides / pharmacology*
  • CCAAT-Binding Factor / antagonists & inhibitors*
  • CCAAT-Binding Factor / genetics
  • CCAAT-Binding Factor / metabolism
  • Combinatorial Chemistry Techniques / methods
  • Fungal Proteins / antagonists & inhibitors*
  • Fungal Proteins / genetics
  • Fungal Proteins / metabolism
  • Glutathione Transferase / genetics
  • Glutathione Transferase / metabolism
  • Kinetics
  • Pyrans / chemical synthesis
  • Pyrans / pharmacology
  • Recombinant Fusion Proteins / genetics
  • Recombinant Fusion Proteins / metabolism
  • Structure-Activity Relationship
  • Surface Plasmon Resonance
  • Transcription Factors / antagonists & inhibitors*
  • Transcription Factors / genetics
  • Transcription Factors / metabolism

Substances

  • Amides
  • CCAAT-Binding Factor
  • Fungal Proteins
  • Pyrans
  • Recombinant Fusion Proteins
  • Transcription Factors
  • Glutathione Transferase