Abstract

ANTICANCER POTENTIAL OF ISOLATED PHYTOCHEMICALS FROM OCIMUM SANCTUM AGAINST BREAST CANCER: IN SILICO MOLECULAR DOCKING APPROACH

Mohammed Farhad, Md. Imam Hossain Bhuiyan, Sheikh Montasir Uddin, Md. Hosne Mobarak Chowdhury, Md. Nazmul Huda, Mohammad Forhad Khan, Md. Shahajahan Alam, Arkajyoti Paul, Mohammad Shah Hafez Kabir*, Md. Mominur Rahman

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 Ocimum sanctum namely Carvacrol, Palmitic Acid, Stearic Acid, Vicenin, 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. Carvacrol, Palmitic Acid, Stearic Acid, Vicenin showed the docking score -6.456, 2.232, 1.985, -2.941 respectively. Among all the compounds Carvacrol showed best docking score towards estrogen receptor alpha. So, Carvacrol is the best compounds for selective inhibitors of estrogen receptor alpha, as it possessed best value in Molecular docking. Further in vitro and in vivo investigation need to identify estrogen receptor alpha inhibitory activity of isolated compounds from Ocimum sanctum.

Keywords: Ocimum sanctum, estrogen receptor alpha, Breast cancer, Carvacrol.