General model of the opiate pharmacophore
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- Kuz’mina, N.E., Osipova, E.S., Kuz’min, V.S. et al. Russ Chem Bull (2008) 57: 1277. doi:10.1007/s11172-008-0165-x
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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.