Abstract

ANTICANCER POTENTIAL OF ISOLATED PHYTOCHEMICALS FROM TERMINALIA BELLERICA AGAINST BREAST CANCER: IN SILICO MOLECULAR DOCKING APPROACH.

Mohuya Majumder, Tanjina Khanam, Mahabubur Rahaman, Md. Rahimul Hasan, Md. Shamsuzzaman, Mofiza Akter, Asifur Rahman, Fatema Tuz Zohora, Tanvir Nehal Hossain and Nishan Chakrabarty*

Abstract

Breast cancer is an increasing public health problem. One of the main causes of breast cancer is estrogen receptor alpha. Over expression of estrogen receptor is seen in number of cases of breast cancer. The aim of this study was to screen out the effective bioactive compounds from Terminalia bellerica namely Anolignan B, Gallic acid, Termilignan, Thannilignan, which may be potential inhibitors of estrogen receptor alpha (ER-α) for searching a drug against the breast cancer. A wide range of docking score found during molecular docking by Schrodinger. Anolignan B, Gallic acid, Termilignan, Thannilignan showed the docking score -8.004, -6.351, - 7.875 and -7.774 respectively. Among all the compounds Anolignan B showed best docking score towards estrogen receptor alpha. So, Anolignan B is the best compounds for selective inhibitors of estrogen receptor alpha, as it possessed the best value in Molecular docking. Further in vitro and in vivo investigation need to identify estrogen receptor alpha inhibitory activity of isolated compounds from Terminalia bellerica.

Keywords: Terminalia bellerica, estrogen receptor alpha, Breast cancer, Anolignan B.