Affordable Access

Publisher Website

Homology models of the cannabinoid CB1 and CB2 receptors. A docking analysis study

Authors
Journal
European Journal of Medicinal Chemistry
0223-5234
Publisher
Elsevier
Publication Date
Volume
40
Issue
1
Identifiers
DOI: 10.1016/j.ejmech.2004.10.002
Keywords
  • Cannabinoid Receptor
  • Cb1
  • Cb2
  • G-Protein-Coupled Receptors (Gpcrs)
  • Homology Modeling
  • Docking
Disciplines
  • Biology

Abstract

Abstract The 3D models of both CB1 and CB2 human receptors have been established by homology modeling using as template the X-ray structure of bovine Rhodopsin (code pdb: 1F88) a G-protein-coupled receptor (GPCR). A recursive approach comprising sequence alignment and model building was used to build both models, followed by the refinement of non-conserved regions. The cannabinoid system has been studied by means of docking techniques, using the 3D models of both CB1 and CB2 and well known reference inverse agonist/antagonist compounds. An approach based on the flexibility of the structures has been used to model the receptor–ligand complexes. The structural effects of ligand binding were studied and analyzed on the basis of hydrogen bond interactions, and binding energy calculations. Potential interaction sites of the receptor were determined from analysis of the difference accessible surface area (DASA) study of the protein with and without ligand.

There are no comments yet on this publication. Be the first to share your thoughts.

Statistics

Seen <100 times
0 Comments

More articles like this

Homology models of the cannabinoid CB1 and CB2 rec...

on European Journal of Medicinal... January 2005

Pharmacology of cannabinoid CB1and CB2receptors

on Pharmacology & Therapeutics Jan 01, 1997

Cannabinoid CB2/CB1 selectivity. Receptor modeling...

on Journal of Medicinal Chemistry Feb 09, 2006

Binding thermodynamics at the human cannabinoid CB...

on Biochemical Pharmacology Jan 01, 2010
More articles like this..