Quantitative structure-activity relationship study of 2-[(2-benzimidazolylsulphinyl)methyl]-aniline inhibitors of H+/K+ ATPase.

Abstract

The H+/K+ ATPase enzyme inhibitory activity of 2-[(2-benzimidazolylsulphinyl)methyl]anilines was found to be significantly correlated with hydrophobic, pi or van der Waals volume, Vw, electronic, sigma and molar refraction, MR parameters. The derived correlations support the concept that the basic centre of the anilines is involved in the rate of reaction of the compounds. Hydrophobic interaction of meta-substituents and the bulk of substituents on the benzimidazolyl moiety also contribute significantly in the realisation of enzyme inhibition.