Abstract
In this study, we investigated the efficiency of phytochemical constituents from plants mentioned in the Siddha formulations such as Amirthavennai, Kungliavennai, and Mekavarna Kalimbu to inhibit Candidiasis. Enzymatic inhibition of lanosterol 14 α-demethylase and lumazine synthase by the phytochemicals identified from the plants was investigated through molecular docking studies. Grid-based ligand docking with energetics was performed on maestro suite of Schrodinger. Our results reveal that the binding pocket of the currently used drugs (fluconazole and clotrimazole) and the phytochemicals was same. Interestingly, the phytochemicals showed greater binding affinity than standard drugs. It is more likely that these lead compounds can pass through as drug candidates as they are going to be topical application for medication. As these formulations were used by proven efficacy in clinical practice in Siddha medicine system, our study could highlight the possible mechanism of action of phytochemicals present in Siddha formulations.
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