Abstract

ANTIFUNGAL ACTIVITY AND QSAR STUDIES ON HETEROCYCLIC DERIVATIVES

Santosh Tiwari*, Shailja Sachan, Santosh Kumar Tiwari, Vikash Pandey,
Kamlesh Misra

Abstract

QSAR analysis of a set of 94 heterocyclic derivatives tested for growth inhibitory activity against Candida albicans. Quantitative structure activity relationship (QSAR) has been used to study the relationships between the antifungal activity with physicochemical descriptors and indicator descriptors by using E-Dragon software. The results are discussed on the basis of statistical data. The best QSAR model for prediction of antifungal activity of the investigated series of heterocyclic derivatives was developed. The resulting QSAR revealed that the heterocyclic ring system with the substitution of a benzyl moiety at position 2 was the most favorable structure among the heterocyclic nuclei. Moreover, the fifth position in the fused ring system is found more significant than the other positions in improving the activity.

Keywords: QSAR, Heterocyclic derivatives, antifungal activity.