An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and …

…, A Sharadendu, R Nudelman, M Kauffman…

Index: Becker, Oren M.; Dhanoa, Dale S.; Marantz, Yael; Chen, Dongli; Shacham, Sharon; Cheruku, Srinivasa; Heifetz, Alexander; Mohanty, Pradyumna; Fichman, Merav; Sharadendu, Anurag; Nudelman, Raphael; Kauffman, Michael; Noiman, Silvia Journal of Medicinal Chemistry, 2006 , vol. 49, # 11 p. 3116 - 3135

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Citation Number: 113

Abstract

We report the discovery of a novel, potent, and selective amidosulfonamide nonazapirone 5- HT1A agonist for the treatment of anxiety and depression, which is now in Phase III clinical trials for generalized anxiety disorder (GAD). The discovery of 20m (PRX-00023), N-{3-[4-(4- cyclohexylmethanesulfonylaminobutyl) piperazin-1-yl] phenyl} acetamide, and its backup compounds, followed a new paradigm, driving the entire discovery process with in silico ...