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Current Topics in Medicinal Chemistry


ISSN (Print): 1568-0266
ISSN (Online): 1873-4294

Validated Ligand Binding Sites in CCK Receptors. Next Step: Computer-Aided Design of Novel CCK Ligands

Author(s): Irina G. Tikhonova, Esther Marco, Elodie Lahlou-Archer, Ingrid Langer, Magali Foucaud, Bernard Maigret and Daniel Fourmy

Volume 7, Issue 12, 2007

Page: [1243 - 1247] Pages: 5

DOI: 10.2174/156802607780960528

Price: $65


Computer-aided drug design becomes an important part of G-protein coupled receptors (GPCR) drug discovery process that is applied for improving the efficiency of derivation and optimization of novel ligands. It represents the combination of methods that use structural information of a receptor binding site of known ligands to design new ligands. In this report, we give a brief description of ligand binding sites in cholecystokinin and gastrin receptors (CCK1R and CCK2R) which were delineated using experimental and computational methods, and then, we show how the validated ligand binding sites can be used to design and improve novel ligands. The translation of the knowledge of ligand-binding sites of different GPCRs to computer-aided design of novel ligands is summarized.

Keywords: G-protein coupled receptors, molecular dynamic, serotonin receptor, cholecystokinin, CCK1R

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