Russian Chemical Bulletin

, Volume 57, Issue 6, pp 1277–1284 | Cite as

General model of the opiate pharmacophore

2. Regions of the opiate pharmacophore defining agonistic properties of the opiate receptor ligands
  • N. E. Kuz’mina
  • E. S. Osipova
  • V. S. Kuz’min
  • V. B. Sitnikov
Article

Abstract

Analysis of experimental data on the correlation of agonistic and antagonistic properties of molecules of the opiate receptor (OR) ligands of various structural classes and the use of the method of superposition of three-dimensional structures allowed one to single out two regions of the opiate pharmacophore in which hydrophobic interactions are implemented fixing molecules of the OR ligands close to the intercellular membrane and transforming them into “pure” agonists. A set of geometrical parameters characterizing arrangement of these regions in space is defined. This set can be used as a criterion for evaluation of the correlation of agonistic and antagonistic properties in the modeling of new types of OR ligands.

Key words

opiate receptors opiate pharmacophore modeling 

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Copyright information

© Springer Science+Business Media, Inc.  2008

Authors and Affiliations

  • N. E. Kuz’mina
    • 1
  • E. S. Osipova
    • 1
  • V. S. Kuz’min
    • 1
  • V. B. Sitnikov
    • 1
  1. 1.State Research Institute of Organic Chemistry and TechnologyMoscowRussian Federation

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