Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Hibiscus Anthocyanins Can Selectively Modulate Estrogen Receptor Activity with Favorable Toxicology: a Computational Analysis

Version 1 : Received: 24 December 2020 / Approved: 25 December 2020 / Online: 25 December 2020 (16:03:32 CET)

A peer-reviewed article of this Preprint also exists.

Laskar, Y. B., Mazumder, P. B., & Talukdar, A. Das. (2021). Hibiscus sabdariffa anthocyanins are potential modulators of estrogen receptor alpha activity with favourable toxicology: a computational analysis using molecular docking, ADME/Tox prediction, 2D/3D QSAR and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics, 0(0), 1–23. https://doi.org/10.1080/07391102.2021.2009914 Laskar, Y. B., Mazumder, P. B., & Talukdar, A. Das. (2021). Hibiscus sabdariffa anthocyanins are potential modulators of estrogen receptor alpha activity with favourable toxicology: a computational analysis using molecular docking, ADME/Tox prediction, 2D/3D QSAR and molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics, 0(0), 1–23. https://doi.org/10.1080/07391102.2021.2009914

Journal reference: Journal of Biomolecular Structure and Dynamics 2021
DOI: 10.1080/07391102.2021.2009914

Abstract

The estrogen hormone receptor (ER) mediated gene expression mainly regulate the development and physiology of primary and secondary reproductive system alongside bone-forming, metabolism and behaviour. Over-expressed ER is associated with several pathological conditions and play a key role in breast cancer occurrence, progression and metastasis. Hibiscus sabdariffa L. or roselle is a rich source of naturally occurring polyphenolic compounds including anthocyanins and reportedly have strong estrogenic activity. To validate these findings, we have investigated the estrogen receptor binding affinity and safety of some previously recorded polyphenols using a suite of computational methods. Our investigation showed the estrogen-receptor binding potential of Pelargonidin, Delphinidin, Cyanidin, and Hibiscetin are more efficient than popular breast cancer drugs, Tamoxifen and Raloxifene, with favourable toxicological parameters and low half maximal inhibitory concentration. This is the first report to investigate the phytochemical basis of estrogenic activity of Hibiscus sabdariffa L.

Keywords

In silico; Estrogen Receptor; Hibiscus sabdariffa L.; Phytochemical; Anthocyanin; SERM

Subject

LIFE SCIENCES, Biochemistry

Comments (0)

We encourage comments and feedback from a broad range of readers. See criteria for comments and our diversity statement.

Leave a public comment
Send a private comment to the author(s)
Views 0
Downloads 0
Comments 0
Metrics 0


×
Alerts
Notify me about updates to this article or when a peer-reviewed version is published.
We use cookies on our website to ensure you get the best experience.
Read more about our cookies here.