Slow-binding human serine racemase inhibitors from high-throughput screening of combinatorial libraries

J Med Chem. 2006 Apr 20;49(8):2388-97. doi: 10.1021/jm050701c.

Abstract

One-bead one-compound combinatorial chemistry together with a high-throughput screen based on fluorescently labeled enzyme allowed the identification of slow binding inhibitors of human serine racemase (hSR). A peptide library of topographically segregated encoded resin beads was synthesized, and several hSR-binding compounds were isolated, identified, and resynthesized for further kinetic study. Of these, several showed inhibitory effects with moderate potency (high micromolar K(I)s) toward hSR. A clear structural motif was identified consisting of 3-phenylpropionic acid and histidine moieties. Importantly, the inhibitors identified showed no structural similarities to the natural substrate, L-serine. Detailed kinetic analyses of the properties of selected inhibitors show that the screening protocol used here selectively identifies slow binding inhibitors. They provide a pharmacophore for the future isolation of more potent ligands that may prove useful in probing and understanding the biological role of hSR.

Publication types

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

MeSH terms

  • Combinatorial Chemistry Techniques*
  • Drug Evaluation, Preclinical
  • Enzyme Activation / drug effects
  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / pharmacology*
  • Humans
  • Kinetics
  • Ligands
  • Models, Molecular
  • Molecular Structure
  • Peptide Library
  • Peptides / chemical synthesis
  • Peptides / chemistry*
  • Peptides / pharmacology*
  • Protein Binding
  • Racemases and Epimerases / antagonists & inhibitors*
  • Racemases and Epimerases / chemistry
  • Structure-Activity Relationship

Substances

  • Enzyme Inhibitors
  • Ligands
  • Peptide Library
  • Peptides
  • Racemases and Epimerases
  • serine racemase