Method for estimating a compound’s opiate activity based on a versatile three-dimensional model of nonselective opiate pharmacophore
Natalia E. Kuz’mina, V. A. Yashkir, Вадим Анатольевич Меркулов, E. S. Osipova · Russian Journal of Bioorganic Chemistry · 2012
Created by means alternative strategy of structural similarity search universal three-dimensional model of the nonselective opiate pharmacophore and the estimation method of agonistic and antagonistic properties of opiate receptors ligands based on its were described. The examples of the present method use are given for opiate activity estimation of compounds essentially distinguished on the structure from opiates and traditional opioids.