Abstract

ANTICANCER POTENTIAL OF ISOLATED PHYTOCHEMICALS FROM HOPEA ODORATA AGAINST BREAST CANCER: IN SILICO MOLECULAR DOCKING APPROACH

Arkajyoti Paul, Mohammed Shoibe, Md. Mohaiminul Islam, Md. Abdul Awal, Mohammad Injamul Hoq, Md. Hamidur Rahman, Arafatul Mamur, Md. Sajjad Ul Hoque, Tanvir Ahmad Chowdhury and Mohammad Shah Hafez Kabir*

Abstract

Breast cancer malignancy is prevailing among the women not only from the developing countries but also from the developed one at the rate of 18% of total population worldwide. 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 Hopea odorata namely Ampelopsin H, Balanocarpol, Betulinic acid, Betulonic acid, Caryophyllene oxide, Friedelin, 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. Ampelopsin H, Balanocarpol, Betulinic acid, Betulonic acid, Caryophyllene oxide, Friedelin showed the docking score -6.244, -1.963, -4.499, -3.803, -7.236, -4.710 respectively. Among all the compounds Caryophyllene oxide showed best docking score towards estrogen receptor alpha. So, Caryophyllene oxide is the best compounds for selective inhibitors of estrogen receptor alpha, as it possessed best value in Molecular docking. Further in vivo investigation need to identify estrogen receptor alpha inhibitory activity of isolated compounds from Hopea odorata.

Keywords: Hopea odorata, Estrogen receptor alpha, Breast cancer, Caryophyllene oxide, Ampelopsin H.