In Silico Study of the Structural Disruption of 14-demethylase Induced by the Binding of Terminalia chebula Constituents

CURRENT TRADITIONAL MEDICINE(2024)

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摘要
Background: Since ancient times, medicinal plants have been in use in medicine and daily life.Objective: To develop new antifungal compounds with low toxicity and high efficacy followed by high bioavailability, the constituents of Terminalia chebula were studied.Methods: The chemical constituents of the plant were evaluated for antifungal potential via Molergo Virtual Docker against the enzyme 14 alpha-demethylase.Results: The study depicted that tannins exhibited very good potential against the enzyme and could be used further for lead development.Conclusion: The study revealed that the plant possessed various constituents with potential antifungal properties and low toxicity.
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关键词
Antifungal,14 alpha-demethylase,molecular docking,tannins,terminalia,antifungal compounds
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