Abstract

ANTICANCER POTENTIAL OF ISOLATED PHYTOCHEMICALS FROM GREVILLEA ROBUSTA AGAINST BREAST CANCER: IN SILICO MOLECULAR DOCKING APPROACH

 Syed Mohammed Tareq, Mohammad Nazmul Islam*, Sarrin Shahadat, Bishwajit Guha, Md. Abul Kalam Azad, Md. Ikram, Mohammad Jahir Royhan, Arkajyoti Paul and Mohammad Shah Hafez Kabir,

Abstract

Breast cancer is an increasing public health problem. One of the main causes of breast cancer is estrogen receptor alpha. Overexpression of estrogen receptor is seen in a number of cases of breast cancer. The aim of this study was to screen out the effective bioactive compounds from Grevillea robusta namely 4-hydroxyacetophenone, Bisnorstriatol, Grasshopper ketone, P-coumaric acid, 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. 4-hydroxyacetophenone, Bisnorstriatol, Grasshopper ketone, P-coumaric acid showed the docking score -6.49, -6.187, -7.368 and -6.103 respectively. Among all the compounds Grasshopper Ketone showed best docking score towards estrogen receptor alpha. So, Grasshopper Ketone 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 Grevillea robusta.

Keywords: Grevillea robusta, estrogen receptor alpha, Breast cancer, 4-hydroxyacetophenone.