Turkish Journal of Medical SciencesQSARs of Some 5- or 6-Methyl-2-Substituted Benzoxazoles/Benzimidazoles against Candida albicans
Department of Pharmaceutical Chemistry, Faculty of Pharmacy,
Ankara University, Tandoğan 06100, Ankara - TURKEY
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 R1, R2, R5, R6, 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 CH2 group was significant for the improved antifungal activity. Moreover, hydrophobic properties of the substituents at position R2 are indicative for the antifungal activity against C. albicans.
Key Words: Benzoxazole, Benzimidazole, Antifungal activity, QSAR, Hansch analysis
Turk J Med Sci 2001; 31(6): 493-498.
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