Title

Hierarchically weighted principal component analysis evaluation of antifungal azoles inhibitory potency on lanosterol-14α-demethylase in Candida albicans

College

College of Science

Department/Unit

Biology

Document Type

Article

Source Title

Current Research in Environmental and Applied Mycology

Volume

9

Issue

1

First Page

44

Last Page

52

Publication Date

1-1-2019

Abstract

Hierarchically weighted principal component analysis method was employed to assess the inhibitory potency of different antifungal azoles to Candida albicans lanosterol-14α-demethylase. Information regarding the molecular properties and biological activity of the antifungal azoles was utilized for evaluation. The molecular weight, complexity, heavy atom count, and rotatable count were identified as the most significant variables describing the inhibitory potency of the antifungal drugs. Newer generation drugs including itraconazole and fluconazole were identified to have better inhibitory potency than bifonazole and clotrimazole. The present study illustrated a method providing an effective approach in classifying antifungal azoles based on molecular properties and biological activity for possible synthesis of newer generation antifungal drugs for a better and more effective treatment of fungal infections. © 2019, Current Research in Environmental & Applied Mycology.

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Digitial Object Identifier (DOI)

10.5943/cream/9/1/5

Disciplines

Biology

Keywords

Antifungal agents; Azoles; Candida albicans; Cytochrome P-450; Molecular weights

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