MOLECULAR DOCKING SIMULATION STUDY OF PHYTOESTROGENS FROM ASPARAGUS RACEMOSUS IN BREAST CANCER PROGRESSIONAbstract
Phytoestrogens are the xenoestrogens which are derived from the plant. This is the first report providing the deeper inside into the mechanism involved in restricting breast cancer progression with the help of docking simulation by phytoestrogen. Docking experiment bring to light that phytoestrogens prevents the binding of oestradiol with its receptor, thereby down regulating the signalling pathway and also acts as inhibitor of enzymes involved in the biosynthesis of endogenous oestradiol. In the present study, thirty phytoestrogen reported from A. racemosus were selected as ligand along with reference compounds using Maestro 9.3. Rutin, shatavarin I, 3, 6, 4′ – trimethoxy-7-O-β-D-glucopyranosyl [1→4]-O-α-D-xylopyranoside glucopyranpsyl, 8-methoxy-5,6,4-trihydroxyisoflavone-7-O-β-D-glucopyranoside,shatavarin X, racemoside A, immunoside showed better interactions with their targets indicated from their respective dock score.
Ramit Singla and Vikas Jaitak*
Centre for Chemical and Pharmaceutical Sciences, School of Basics and Applied Sciences Central University of Punjab, Bathinda (Punjab)-151001 India.
20 May, 2014
15 July, 2014
16 September, 2014
01 January, 2015