European Journal of Biomedical and Pharmaceutical Sciences

MOLECULAR DOCKING STUDIES OF SIDDHA MEDICINE INJI CHOORANAM II ON PCOS

C. Sowndarya*, A. Safeeqahamed*, J. S. Jerfin*, B. Arthi and V. Mahalakshimi*

ABSTRACT

In siddha medicine molecular docking is very useful for herbal formulation because it can clarify the molecular interaction between the formulation lead molecules and receptors and provide insight into the basic biochemical processes that the formulation is intended to address. The siddha drug inji chooranam II is used for trea ting for menstrual problems. poly cystic ovarian syndrome was effectively treated with inji chooranam II although its active components and molecular mechanism remain undetermined. Through network pharmacology and molecular docking technology, the ultimate goal of this study was to investigate the active ingredients and function of inji chooranam II against PCOS. 15 Phytocomponents selected for docking study. Binding of phytocomponents with the core amino acid (Ala105, Arg239 and Asn202) of the target by forming hydrogen bond will hinder the function of the enzyme CYP-17α -Hydroxylase with PDB-3RUK.These amino acid residues are functionally responsible for binding of substrate and inhibitors. Thereby phytocomponents which inhibit the target enzyme CYP-17α -Hydroxylase may act as a potential therapeutic agent for management of PCOS. Total of 18 bioactive lead compounds were retrieved from the herbal ingredients present in the siddha formulation inji chooranam II. From reported data of the herb, the phytocompounds such as Gingerenone -A, sesamin, Grandisin, Chlorogenicacid, diosgenin β -sitosterol and myricetin reveals maximum of 2 to 3 interaction with the core active residues present on the target enzyme CYP-17α –Hydroxylase.

Keywords: Inji Chooranam II, Siddha Herbal Medicine, Molecular Docking, PCOS.