Exploring the orthosteric binding site of the γ-aminobutyric acid type A receptor using 4-(Piperidin-4-yl)-1-hydroxypyrazoles 3- or 5-imidazolyl substituted: design, synthesis, and pharmacological evaluation

J Med Chem. 2013 Aug 22;56(16):6536-40. doi: 10.1021/jm4006466. Epub 2013 Aug 8.

Abstract

A series of 4-(piperidin-4-yl)-1-hydroxypyrazole (4-PHP) 3- or 5-imidazolyl substituted analogues have been designed, synthesized, and characterized pharmacologically. All analogues showed binding affinities in the low micro- to low nanomolar range at native rat GABAA receptors and were found to be antagonists at the human α1β2γ2s receptor. The structure-activity relationship of the compound series demonstrates distinct differences in size and architecture of previously discovered cavities in the vicinity of the 4-PHP scaffold in the orthosteric binding site.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Binding Sites
  • Drug Design*
  • Humans
  • Models, Molecular
  • Pyrazoles / chemistry
  • Pyrazoles / metabolism*
  • Rats
  • Receptors, GABA-A / metabolism*
  • Structure-Activity Relationship

Substances

  • Pyrazoles
  • Receptors, GABA-A