Open AccessA Molecular Docking Study towards Finding Herbal Treatment against Polycystic Ovary Syndrome (PCOS)
Author(s) -
Anshul Kamboj,
Devvret Verma,
Damini Sharma,
Kumud Pant,
Bhasker Pant,
Vijay Kumar
Publication year - 2020
Publication title -
international journal of recent technology and engineering
Language(s) - English
Resource type - Journals
ISSN - 2277-3878
DOI - 10.35940/ijrte.b1006.0982s1219
Subject(s) - polycystic ovary , terminalia chebula , hyperandrogenism , pharmacology , free androgen index , chemistry , medicine , endocrinology , biochemistry , traditional medicine , insulin , insulin resistance
Polycystic ovary syndrome (PCOS) is one of thewhich has affected reproductive-age women, it is characterizedby hyperinsulinemia, hyperandrogenism, menstrualirregularities, and long-term metabolic disturbances. CYP 17(P450c 17α) is an enzyme that plays an essential role in thebiosynthesis of adrenal and gonadal steroids. Due tooverexpression of the CYP17 encoding gene androgen isconverted more efficiently to testosterone causinghyperandrogenism. By inhibiting this enzyme activity androgensynthesis can be prevented in the ovary. In this study, virtualscreening of the phytochemicals of fruit from plant Terminaliachebula, Terminaliabellirica and Emblica officinalis were usedas a ligand to identify a potent inhibitor of CYP17 enzyme. Thebinding affinity of phytochemicals with the target protein CYP17with the aid of AutoDockVina were explored. Metformin,spironolactone and clomiphene were used as control and bindingenergy of phytochemicals was compared with the docking scoreof control. All the phytocompounds shows inhibition of theCYP17 enzyme with a docking score of -3.7 to -9.5. Chebulanin,corilagin, neochebulinic acid, ellagic acid, chebulinic acid,1,6-diO-galloyl-d-glucose, 3,4,6-tri-O-glloyl-d-glucose, terchebulin,terflavin A, maslinic acid, arjunin, Isoquercitrin, rutin andchebulagic acid shows properties of potent inhibitor. This studyreveals that the phytochemicals of fruit from plant Terminaliachebula, T.bellirica and Emblica officinalis can be used as apotential de novo drug to treat infertility in PCOS.