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Structure-Based Identification of Binding Sites, Native Ligands and Potential Inhibitors for G-Protein Coupled
 

Summary: Structure-Based Identification of Binding Sites, Native
Ligands and Potential Inhibitors for G-Protein Coupled
Receptors
Claudio N. Cavasotto,#
Andrew J.W. Orry,#
and Ruben A. Abagyan*
Scripps Research Institute, Department of Molecular Biology (TPC-28), La Jolla, California
ABSTRACT G-protein coupled receptors
(GPCRs) are the largest family of cell-surface recep-
tors involved in signal transmission. Drugs associ-
ated with GPCRs represent more than one fourth of
the 100 top-selling drugs and are the targets of more
than half of the current therapeutic agents on the
market. Our methodology based on the internal
coordinate mechanics (ICM) program can accu-
rately identify the ligand-binding pocket in the
currently available crystal structures of seven trans-
membrane (7TM) proteins [bacteriorhodopsin (BR)
and bovine rhodopsin (bRho)]. The binding geom-
etry of the ligand can be accurately predicted by

  

Source: Abagyan, Ruben - School of Pharmacy and Pharmaceutical Sciences, University of California at San Diego

 

Collections: Biology and Medicine