Acta periodica technologica 2010 Issue 41, Pages: 177-185
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Correlation between the lipophilicity and antifungal activity of some benzoxazole derivatives
Podunavac-Kuzmanović Sanja O., Velimirović Sonja D.
In the present work, a quantitative relationship between the lipophilicity
and antifungal activity of some benzoxazole derivatives against Candida
albicans was investigated by using QSAR (quantitative structure-activity
relationship) analyses. The descriptors which describe numerically the
lipophilicity, logP, were calculated using Chem-Office Software version 7.0.
The linear correlation between the minimal inhibitory concentration
(log1/cMIC) and lipophilicity descriptors was investigated. The best QSAR
model predicting the antifungal activity of the investigated series of
benzoxazole was developed. The results are discussed on the basis of
statistical data. High agreement between theoretical and experimental
inhibitory values was obtained. The results of this study indicate that the
lipophilicity parameter has a significant effect on antifungal activity of
this class of compounds, which can be very useful in the design of new
biologically active molecules.
Keywords: benzoxazole derivatives, antifungal activity, lipophilicity, quantitative structure-activity relationship
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