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In-silico Study of Certain Phytoestrogen Flavonoids Involved in Breast Cancer by Evaluating their Comparative Binding Interaction with Human Estrogen Receptors (Erα and Erβ) to Identify Better Anti-estrogenic Activity
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Breast cancer is the most common cause of cancer deaths among women worldwide. Although estrogen is involved in the development of the mammary gland, hyper-estrogen can be carcinogenic. Phytoestrogens derived from plants exert estrogenic as well as antiestrogenic effects and multiple actions within breast cancer cells. In this molecular docking study, the binding of certain flavonoids and isoflavonoids viz., apigenin, genistein, kaempferol, and quercetin with the human Estrogen Receptor (ER) alpha and beta were analyzed. Apigenin showed high binding efficiency of -7.87 Kcal/ mol and -8.06Kcal/mol with ERα and ERβ, respectively, whereas kaempferol showed binding efficiency of -7.44Kcal/mol and -7.46Kcal/mol with ERα and ERβ, respectively. Quercetin showed binding efficiency of -7.57Kcal/mol and -7.89Kcal/ mol, while the isoflavonoid genistein showed low binding efficiency of -3.37Kcal/mol and -3.57Kcal/mol towards ERα and ERβ, respectively. Thus, apigenin, kaempferol, and quercetin revealed high binding efficiency with the human estrogen receptors alpha and beta, while genistein showed low binding efficiency towards both receptors. Hence, the consumption of different phytoestrogen-rich foods may help in the prevention and/or treatment of breast cancer, although further scientific investigations are required.
Keywords
Antiestrogenic, Apigenin, Breast Cancer, Docking, Genistein, Kaempferol, Phytoestrogens, Qercetin.
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