title: Homology modeling of target proteins and identification novel antifungal compounds against Candida tropicalis through structure based virtual screening.
abstract: Candida tropicalis, the etiological agent of candidiasis evades the immune system and survive in the human host for decades. Currently there are not many drugs available in the market to treat these fungal infections. The increasing number of fungal infections necessitates the need for new drug candidates that can be used to treat fungal infections such as candida. Many natural products available in plants, animals and microorganisms exhibit potent anti-microbial activity; but they are not explored to their potential. Virtual screening of anti-microbials against known targets accelerates the process of drug discovery and development. In the present study, a total of 27 compounds of natural origin such as plants, microbes and marine sponges were evaluated for their ability to interact with four of the new targets. The study revealed the effectiveness of 3 compounds with improved binding affinity against the four target proteins; that could be used as lead compounds in designing new drug candidates.
authors.forename: Haribalaganesh
authors.initials: H
authors.lastname: Ravinarayanan
authors.forename: Bibhash K
authors.initials: BK
authors.lastname: Paul
authors.forename: Angshu
authors.initials: A
authors.lastname: Chakraborty
authors.forename: Krishnan
authors.initials: K
authors.lastname: Sundar
mesh_terms: D000818:Animals; D000935:Antifungal Agents; D002175:Candida; D041022:Candida tropicalis; D002177:Candidiasis; D008826:Microbial Sensitivity Tests
chemical_list: D000935:Antifungal Agents