Validated ligand binding sites in CCK receptors. next step: computer-aided design of novel CCK ligands. - Archive ouverte HAL Access content directly
Journal Articles Current Topics in Medicinal Chemistry Year : 2007

Validated ligand binding sites in CCK receptors. next step: computer-aided design of novel CCK ligands.

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Abstract

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.
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Dates and versions

inserm-00409877 , version 1 (13-08-2009)

Identifiers

  • HAL Id : inserm-00409877 , version 1
  • PUBMED : 17584146

Cite

Irina G Tikhonova, Esther Marco, Elodie Lahlou-Archer, Ingrid Langer, Magali Foucaud, et al.. Validated ligand binding sites in CCK receptors. next step: computer-aided design of novel CCK ligands.. Current Topics in Medicinal Chemistry, 2007, 7 (12), pp.1243-7. ⟨inserm-00409877⟩
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