Browsing by Author "Nidhi Rani"

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    In Silico Evaluation of Reserpine as Potential Anti-Candidal Agent
    (Chitkara University Publications, 2021-05-07) Nidhi Rani; Rajwinder Kaur; Prerna Sharma; Praveen Kumar
    Background: Candida albicans is a fungus that can cause mortality if not treated properly. Lanosterol 14α-demethylase produces Ergosterol, the main sterol in the fungal cell membrane, when the enzyme Lanosterol-demethylase is present (Cytochrome P450DM). This enzyme is a target enzyme for azole antifungal medications. Purpose: In silico evaluation of reserpine as Potential Anti-Candidal agent. Method: The target enzyme was chosen and modelled as part of the project. Molecular docking studies were used to investigate Reserpine’s inhibitory impact on Cytochrome P450. MolegroVirtual Docker was used to conduct molecular docking and Chem sketch was utilised to build compound structures. Result and conclusion: According to the docking research, reserpine exhibited interactions with the demethylase enzyme.
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    Molecular Docking Approach to Identify Potential AntiCandidal Potential of Curcumin.
    (Chitkara University Publications, 2020-11-17) Nidhi Rani; Prerna Sharma; Praveen Kuma
    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.