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

Abstract

Background: Since ancient times, medicinal plants have been in use in medicine and dai-ly 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 Moler-go Virtual Docker against the enzyme 14α-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 antifun-gal properties and low toxicity.