Comparative analysis of potency of Azole derivatives to target ASL and GPI proteins responsible for pathogenesis of Candida albicans using in silico approach

Abstract

Candida albicans, a dimorphic fungus which is commensal organism of human gut flora, but due to overgrowth or immune-compromised conditions become pathogenic causing vulvovaginal candidiasis infection which is most common in females. The present study was conducted to determine an effective treatment strategy by making a comparative analysis of potency of azole derivatives such as itraconazole, fluconazole and ketoconazole to target ASL and GPI proteins responsible for pathogenesis of C. albicans using in silico approach. By comparing Gibbs free energy, it becomes clear that itraconazole possess more potency in comparison to fluconazole and ketoconazole to target ALS and GPI macromolecule. The present study clearly indicated that itraconazole can overcome complications of pathogenesis induced by C. albicans inside the host thereby acting as a major drug of interest in comparison to other azole derivatives to treat vulvovaginal candidiasis.  In conclusion, itraconazole exhibits better potential than fluconazole and ketoconazole to target GPI and ALS. This clearly reveals the potency of itracaonazole to target C. albicans, but more research is needed to be carried out to determine the mechanistic approach involved in exhibiting this effect.