Exploring Antifungal Potential of Coleus Aromaticus Leaves Bioactive: In-Silico Validation

Background: Numerous secondary metabolites present in plants, such as tannins, terpenoids, alkaloids, flavonoids, and glycosides, have demonstrated antibacterial properties in vitro. Increasing data on the antibacterial properties of medicinal plants are emerging globally. These plants generate secondary metabolites with antibacterial properties, providing an alternative for developing chemical fungicides that are both relatively safe and cost-effective. Coleus aromaticus, a member of the Lamiaceae family, possesses bitter, aromatic, digestive-stimulating, stomachic, anathematic, deodorising, diuretic, and hepatoprotective properties. Aim: The aim of current investigation is to reveal the mechanisms of C.aromaticus leaf bioactive in treating fungal infection. Methodology: Scientific validation of the current investigation was done by computational based molecular docking study of selected lead molecules against 1,3β-Glycan synthase enzyme. Result: The molecular docking results indicating binding energies of -4.02, -6.81,-4.24 and -5.18 kcal/mol for chlorogenic acid, quercetin, rosmarinic acid and rutin respectively. Conclusion: The findings indicated that each selected lead chemical for additional investigation shown significant inhibitory activity against 1,3β-Glycan synthase, hence revealing its anti-fungal potential.