Molecular Docking Approach to Identify Potential AntiCandidal Potential of Curcumin.
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Date
2020-11-17
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Chitkara University Publications
Abstract
Background: Candida albicans is a kind of fungus that can lead to mortality. In the presence of the enzyme Lanosterol-demethylase, Ergosterol, the major sterol in the fungal cell membrane, is the resulting product of Lanosterol (Cytochrome P450DM).
Purpose: Azole antifungal drugs target this enzyme as a target enzyme. The work included selecting and modelling the target enzyme. Cucumin’s inhibitory effect on Cytochrome P450 was tested utilising molecular docking experiments.
Methods: Chem sketch was used to create compound structures, and Molergo Virtual Docker was used to do molecular docking.
Results: All of the curcumin and conventional medicines, such as Ketoconazole, Clotrimazole, and Miconazole, have interaction with 14-demethylase amino acid residues, Haem and water molecules in the target site, as per the docking research.
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Keywords
Antifungal medications, Candida albicans, 14α-demethylase, Molecular docking, Molecular modeling