Statistical modeling of antifungal activity of substituted benzo-1-thia- and selenium diazoles

Abstract

Statistical methods revealed a close relationship between antifungal activity (suppression of the growth of the mycelium of the fungi of the species Venturia inaqualis, Aspergillus niger and Fusarium moniliforme) and the molecular structure of the substituted benzo-1-thiadiazoles and benzo-1-seleniumdiazoles. The molecular pseudopotential is used as the explanatory variable in the regression equations. It was established the threshold dependence of the antifungal activity on the pseudopotential of the molecule. The explanatory variable exceeding of its threshold value leads to a rapid linear increase in bioactivity for all species of fungi. Antifungal activity of drugs is low to the threshold value of the molecular pseudopotential and does not have a significant relationship with the variability of the molecular structure of the chemical compounds.