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Turkish Journal of Medical Sciences

DOI

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Abstract

QSAR analysis of some 5- or 6-methyl-2-substituted benzoxazoles/ benzimidazoles was studied for the antifungal activity against C. albicans using Hansch analysis. Prediction for the lead optimization in this QSAR analysis was described by the description of various hydrophobic, electronic, steric and structural parameters related to positions R_1, R_2, R_5, R_6, X, Y. The cross-validation method was also applied to the data set in order to prove the predictive power by using the BILIN statistical software. The resulting QSAR revealed that substitution at position Y with the CH_2 group was significant for the improved antifungal activity. Moreover, hydrophobic properties of the substituents at position R_2 are indicative for the antifungal activity against C. albicans.

Keywords

Benzoxazole, Benzimidazole, Antifungal activity, QSAR, Hansch analysis

First Page

493

Last Page

498

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