COMPUTATIONAL EVALUATION OF PHYTOCHEMICAL CONSTITUENTS FROM MALUS PUMILA (APPLE) FOR BREAST CANCER TREATMENT

Abstract

Apple is a widely consumed fruit that is accessible throughout the year and is high in phytochemicals. The current study's major goal is to use computational methodologies to discover new anti-cancer medication candidates from plants. The ligands of the plant malus pumila were docked with protein EGFR (PDB ID:1M17) to predict novel potential inhibitors that could be employed as anticancer medicines for breast cancer. Breast cancer is a complex disease with no known single cause that continues to be a global killer and the leading cause of cancer-related death in women. One of the first key targets of these emerging anticancer drugs was the epidermal growth factor receptor (EGFR).The physicochemical, pharmacokinetic, and drug-like properties help in the selection of the best compound for breast cancer treatment. Furthermore, a substantial study suggests that phytochemicals, which are plant secondary compounds have oncopreventive Properties.