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EXPLORING STRUCTURAL FEATURE OF BENZOTIAZOLE DERIVATIVES EMPLOYING FUJITA–BAN AND HANSCH APPROACH

Author(s): Rizwan Khan and Dr. Love Kumar Soni

ABSTRACT

Designing of active compounds of benztriazole derivatives which are highly selective, potent and safe inhibitor of CYP51 enzyme for inhibition of ergosterol pathways for maximum antifungal activity has been done. In our study, we did quantitative structure–activity relationship (QSAR) analysis, based on Fujita–Ban and classical Hansch approach, on benzotriazole derivatives. First, the Fujita-Ban approach has been followed, which revealed the highest activity contribution  for the 5-substituted benztriazole derivatives with bulkier group is supported. Further, the Hansch approach confirms that 5- substituted benztriazole derivatives with bulkier group are active. The hydrophobic properties of the various substituents have been found to play major roles in the binding of these compounds with the receptor.

Keywords: Antifungal , Benzotriazole Derivatives, Fujita Ben Analysis, QSAR relationship.

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