Identification of a novel NR2B-selective NMDA receptor antagonist using a virtual screening approach

Laetitia Mony; Nicolas Triballeau; Pierre Paoletti; Francine C Acher; Hugues-Olivier Bertrand

doi:10.1016/j.bmcl.2010.07.043

Identification of a novel NR2B-selective NMDA receptor antagonist using a virtual screening approach

Bioorg Med Chem Lett. 2010 Sep 15;20(18):5552-8. doi: 10.1016/j.bmcl.2010.07.043. Epub 2010 Jul 15.

Authors

Laetitia Mony¹, Nicolas Triballeau, Pierre Paoletti, Francine C Acher, Hugues-Olivier Bertrand

Affiliation

¹ Laboratoire de Chimie et Biochimie Pharmacologiques et Toxicologiques, CNRS UMR 8601, Université Paris Descartes, 45 rue des Saints Pères, 75006 Paris, France.

PMID: 20692832
DOI: 10.1016/j.bmcl.2010.07.043

Abstract

We report the identification of a novel NR2B-selective NMDAR antagonist with an original scaffold, LSP10-0500. This compound was identified by a virtual high-throughput screening approach on the basis of a quantitative pharmacophore model of NR2B-specific NMDAR antagonists. A SAR study around LSP10-0500 is also described.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Animals
Databases, Factual
Drug Design*
Ligands
Models, Molecular
Molecular Structure
Receptors, N-Methyl-D-Aspartate / antagonists & inhibitors*
Receptors, N-Methyl-D-Aspartate / metabolism
Structure-Activity Relationship
Xenopus

Substances

Ligands
NR2B NMDA receptor
Receptors, N-Methyl-D-Aspartate