title: Identification of a novel NR2B-selective NMDA receptor antagonist using a virtual screening approach.
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.
authors.affiliation: Laboratoire de Chimie et Biochimie Pharmacologiques et Toxicologiques, CNRS UMR 8601, Université Paris Descartes, 45 rue des Saints Pères, 75006 Paris, France.
authors.forename: Laetitia
authors.initials: L
authors.lastname: Mony
authors.forename: Nicolas
authors.initials: N
authors.lastname: Triballeau
authors.forename: Pierre
authors.initials: P
authors.lastname: Paoletti
authors.forename: Francine C
authors.initials: FC
authors.lastname: Acher
authors.forename: Hugues-Olivier
authors.initials: HO
authors.lastname: Bertrand
mesh_terms: D000818:Animals; D016208:Databases, Factual; D015195:Drug Design; D008024:Ligands; D008958:Models, Molecular; D015394:Molecular Structure; D016194:Receptors, N-Methyl-D-Aspartate / Q000037:antagonists & inhibitors* / Q000378:metabolism; D013329:Structure-Activity Relationship; D014981:Xenopus
chemical_list: D008024:Ligands; C121001:NR2B NMDA receptor; D016194:Receptors, N-Methyl-D-Aspartate