Molecular docking simulation study of phytoestrogens asparagus racemosus in breast cancer progression
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Date
2015
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Publisher
International Journal Of Pharmaceutical Sciences And Research (IJPSR)
Abstract
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.
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Keywords
Oestrogen receptors, glucose-6-phosphate dehydrogenase, HSP90, steroid sulphatase, tubulin, 17β-hydroxysteroid dehydrogenase, in-silico; phytoestrogens
Citation
Singla, R and Jaitak, V. (2015) MOLECULAR DOCKING SIMULATION STUDY OF PHYTOESTROGENS ASPARAGUS RACEMOSUS IN BREAST CANCER PROGRESSION.International Journal Of Pharmaceutical Sciences And Research 6(1), 172-182. (I.F.: 1.79)