3. FOOD ChEMISTRy & bIOTEChNOLOGy 3.1. Lectures

Chem. Listy, 102, s265–s1311 (2008) Food Chemistry & Biotechnology
pharmacological activity. This evidence was clearly described
in lipid theory advanced by Meyer and Overton. According
to this theory, log P is a measure of hydrophobicity which is
important for the penetration and distribution of the drug, but
also for the interaction of drug with receptors. Therefore, it
can be suggested that lipophilic properties have to be checked
for designing of potent antifungal agents as they are deciding
factors for its activity.
Fig. 2. Plot of residual values against the experimentally observed
log 1/c MIC values
Conclusions
QSAR analysis was performed to estimate the quantitative
effects of the lipophilicity parameter, logP, of the different
substituted 2-amino and 2-methylbenzimidazole derivatives
on their antifungal activity against Saccharomyces
cerevisiae. log P values were calculated for each molecule,
and high-quality mathematical model relating the inhibitory
activity, log 1/c MIC , and log P was defined . . For the estimation
of the predictive ability of this model, the cross-validation
statistical technique was applied. Comparison of the linear,
quadratic and cubic relationships showed that the cubic equation
was the most appropriate for prediction of antifungal
activity of the investigated class of molecules. It is concluded
that strong influence of the partition coefficient, log P, is
important for the inhibitory activity and this parameter is usually
related to pharmacological activity. The obtained mathematical
model was used to predict antifungal activity of the
benzimidazoles investigated and close agreement between
experimental and predicted values was obtained. It indicates
that this model can be successfully applied to predict the antifungal
activity of these class of molecules.
This work has been supported by Ministry of Science
and Environment Protection of the Republic of Serbia as are
the part of the project No. 142028
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