Quantitative structure activity relationship (QSAR) studies on a series of imidazole derivatives as novel ORL1 receptor antagonists

QSAR studies were performed on a series of imidazole derivatives as novel Orl1 receptor antagonists. Imidazole derivatives have been analyzed in relation to their physicochemical and molecular properties. The activities of the compounds were found to be significantly correlated with the physicochemical parameters such as density (D), surface tension (St), index of refraction (Ior), balaban index (J) and partition coefficient (Log P). It was found that the presence of group at R1 position was conducive for the inhibitory activity. The results are critically discussed on the basis of regression data and cross validation techniques. Poglani factor Q and the results of LOO (leave one out) method confirms the reliability and predictability of the proposed models.