Docking studies suggest ligand-specific delta-opioid receptor conformations

J Mol Model. 2009 Mar;15(3):267-80. doi: 10.1007/s00894-008-0396-7. Epub 2008 Dec 4.

Abstract

An automated docking procedure was used to study binding of a series of delta-selective ligands to three models of the delta-opioid receptor. These models are thought to represent the three ligand-specific receptor conformations. Docking results are in agreement with point mutation studies and suggest that different ligands--agonists and antagonists--may bind to the same binding site under different receptor conformations. Docking to different receptor models (conformations) also suggests that by changing to a receptor-specific conformation, the receptor may open or close different binding sites to other ligands.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Binding Sites
  • Ligands
  • Models, Molecular
  • Protein Conformation
  • Receptors, Opioid, delta / antagonists & inhibitors
  • Receptors, Opioid, delta / chemistry*
  • Receptors, Opioid, delta / metabolism
  • Structure-Activity Relationship
  • Thermodynamics

Substances

  • Ligands
  • Receptors, Opioid, delta