HAL will be down for maintenance from Friday, June 10 at 4pm through Monday, June 13 at 9am. More information
Skip to Main content Skip to Navigation
Journal articles

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

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.
Document type :
Journal articles
Complete list of metadata

https://hal.inria.fr/inria-00188597
Contributor : Malika Smail-Tabbone Connect in order to contact the contributor
Submitted on : Sunday, November 18, 2007 - 10:05:38 PM
Last modification on : Friday, January 21, 2022 - 3:22:43 AM

Identifiers

  • HAL Id : inria-00188597, version 1

Collections

Citation

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, Bentham Science Publishers, 2007, 7 (12), pp.1243-1247. ⟨inria-00188597⟩

Share

Metrics

Record views

100