Identification of a novel NR2B-selective NMDA receptor antagonist using a virtual screening approach.
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.
Mony
Laetitia
L
Laboratoire de Chimie et Biochimie Pharmacologiques et Toxicologiques, CNRS UMR 8601, Université Paris Descartes, 45 rue des Saints Pères, 75006 Paris, France.
Triballeau
Nicolas
N
Paoletti
Pierre
P
Acher
Francine C
FC
Bertrand
Hugues-Olivier
HO
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
D008024:Ligands; C121001:NR2B NMDA receptor; D016194:Receptors, N-Methyl-D-Aspartate