Docking study of selected citrus flflavonoids towards exploring the potential anti estrogen activity

Abstract

Breast cancer is one of the serious health issues for the women and it has been characterized with uncontrolled growth of cells in the breast tissue. An elevated level of expression of estrogen promotes survival to breast cancerous cells. The present study is focused on phytochemicals, to screen the inhibition of estrogen receptor activity. The selected phytochemicals’ are citrus flavonoids having anti-cancer, anti-oxidative, anti-proliferative, anti-angiogenic, anti-estrogenic and anti-inflammatory activities. The crystal structure of human estrogen receptor with PDB ID: 2IOG are retrieved from protein data bank (PDB) and citrus flavanoids from Pub Chem database. The drug behavior was studied using Lipinski’s rule of five to screen the possible drug candidates. Further molecular docking is done to evaluate the anti estrogen activity. These flavonoids that have high binding affinities (values) with estrogen receptor and also good profile of ADMET properties were selected as a drug candidate. Based on the observed results it was inferred that the flavonoid Tangeritin can be a promising candidate for in vitroand in vivotesting to arrest the growth of breast cancer cells.