Conformation selectivity in the binding of diazepam and analogues to alpha1-acid glycoprotein

Bioorg Med Chem. 2007 Jul 15;15(14):4857-62. doi: 10.1016/j.bmc.2007.04.060. Epub 2007 May 3.

Abstract

Diazepam, a 1,4-benzodiazepine lacking chiral centre, exists in an equimolar mixture of two chiral conformers. Induced circular dichroism spectra for the binding of diazepam and its 3,3-dimethyl substituted analogues to alpha1-acid glycoprotein (AGP) revealed that opposite to human serum albumin, AGP preferably binds the P-conformers. Accordingly, slightly favoured binding of (R)-enantiomers of 3-alkyl derivatives having P-conformation was found. In case of 3-acyloxy derivatives, however, AGP preferably binds the (S)-enantiomers. Studies with the separated genetic variants of AGP proved similar binding affinities, but markedly different conformation selectivities. For diazepam bound by the F1-S variant, a P/M selectivity of about 2 could be estimated.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Circular Dichroism
  • Diazepam / analogs & derivatives*
  • Diazepam / chemistry*
  • Genetic Variation / genetics
  • Humans
  • Molecular Conformation
  • Orosomucoid / chemistry*
  • Orosomucoid / genetics
  • Orosomucoid / metabolism*
  • Protein Binding
  • Serum Albumin / chemistry

Substances

  • Orosomucoid
  • Serum Albumin
  • Diazepam