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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Authors

  • Amar Deep Soren
     PG and Research Department of Zoology, B. Borooah College, Guwahati - 781007, Assam, ,IN
  • Bhaskar Borah
     PG and Research Department of Zoology, B. Borooah College, Guwahati - 781007, Assam ,IN
  • Mridul Kr. Borthakur
     PG and Research Department of Zoology, B. Borooah College, Guwahati - 781007, Assam ,IN
  • Janardan Pathak
     PG and Research Department of Zoology, B. Borooah College, Guwahati - 781007, Assam ,IN
  • Sabina Langthasa
     PG and Research Department of Zoology, B. Borooah College, Guwahati - 781007, Assam ,IN
  • Archana Borah
     PG and Research Department of Zoology, B. Borooah College, Guwahati - 781007, Assam ,IN

DOI:

https://doi.org/10.18311/jer/2022/30951

Keywords:

Antiestrogenic, Apigenin, Breast Cancer, Docking, Genistein, Kaempferol, Phytoestrogens, Qercetin
anti-estrogenic activity

Abstract

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.

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Published

2023-03-10

How to Cite

Soren, A. D., Borah, B., Borthakur, M. K., Pathak, J., Langthasa, S., & Borah, A. (2023). 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. Journal of Endocrinology and Reproduction, 26(4), 239–249. https://doi.org/10.18311/jer/2022/30951

Issue

Volume 26, Issue 4, December 2022

Section

Original Research
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