Abstract

ANTICANCER POTENTIAL OF ISOLATED PHYTOCHEMICALS FROM MACARANGA DENTICULATA AGAINST BREAST CANCER: IN SILICO MOLECULAR DOCKING APPROACH

Fahima Zaheed, Mahmudul Hasan, Mohammad Shafiquer Rahman, Md. Mohaiminul Islam, Md. Rakibul Hasan, Mohammad Shafaet Hossain, Md. Nazmul Huda, Habibur Rahman, Mohuya Majumder and Mohammad Shah Hafez Kabir*

Abstract

Cancer can be described as the uncontrolled growth of abnormal cells. Breast cancer is the second most common type of cancer after lung cancer. Normal breast cells and most breast cancer cells have receptors that attach to circulating estrogen. Estrogen bind to the receptors and may work with growth factors (e.g., oncogenes and mutated tumor suppressor genes) to cause cancer cell growth and proliferation. Over expression of estrogen receptor is seen in number of cases of breast cancer. The Protein- Ligand interact ion plays a significant role in structural based drug designing. The aim of this study was to screen out the effective bioactive compounds from Macaranga denticulata namely 3-acetylaleuritolic acid, β-Sitosterol, macarangin, oleanolic acid, scopoletin, stigmasterol, 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. 3- acetylaleuritolic acid, β-Sitosterol, macarangin, oleanolic acid, scopoletin, stigmasterol showed the docking score -4.482, -5.795, -6.647, -2.406, -6.569, -5.822 respectively. Among all the compounds macarangin showed best docking score towards estrogen receptor alpha. So, macarangin 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 Macaranga denticulata.

Keywords: Macaranga denticulata, estrogen receptor alpha, Breast cancer, Caryophyllene oxide, Ampelopsin H.