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Summary: Discovery of Novel Chemotypes to a G-Protein-Coupled Receptor through Ligand-Steered
Homology Modeling and Structure-Based Virtual Screening
Claudio N. Cavasotto,*,,#
Andrew J. W. Orry,*,,#
Nicholas J. Murgolo,§
Michael F. Czarniecki,|
Sue Ann Kocsi,|
Brian E. Hawes,
Kim A. O'Neill,
Heather Hine,|
Marybeth S. Burton,|
Johannes H. Voigt,¶
Ruben A. Abagyan,×
Marvin L. Bayne,§
and Frederick J. Monsma, Jr.*,
MolSoft LLC, 3366 North Torrey Pines Court, Suite 300, La Jolla, California 92037, Departments of DiscoVery Technologies, Chemical
Technologies, CardioVascular Biology, Structural Chemistry, and New Lead DiscoVery, Schering-Plough Research Institute, 2015 Galloping
Hill Road, Kenilworth, New Jersey 07033, and The Scripps Research Institute, 10550 North Torrey Pines Court, La Jolla, California 92037
ReceiVed June 26, 2007
Melanin-concentrating hormone receptor 1 (MCH-R1) is a G-protein-coupled receptor (GPCR) and a target
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