The Morelloflavone as Potential Anticancer Agent against MCF-7 Breast Cancer Cell Lines: In vitro and In silico Studies

Abstract

Background: Breast cancer is a leading cause of death among people. Nowadays, the development of cancer treatment is focused on investigating anticancer drugs from natural compounds. Various methods, including in vitro, in vivo, and in silico ways, are used to assess potential. Exploring bioactive compounds from medicinal plant origin lies in their affordability and convenience to improve efficacy and minimize side effects. The Garcinia genus contains bioactive compounds such as xanthones, benzophenones, triterpenes, biflavonoids, and benzoquinones. Purpose: Investigate an active compound that can inhibit cancer cell growth and proteins that contribute to cancer cell growth, such as Caspase-9, TNF-α, ER-α, and HER-2. Methods: This study is divided into three steps. The first step is the isolation of the active compound from G. cymosa. The second step is an assessment of cytotoxic activity against MCF-7 cell by MTT assay, and the last one is an investigation of the molecular mechanism of an active compound against Caspase-9, TNF-α, ER-α, and HER-2 by in silico studies using various programs such as PyRx 0.8, PYMOL, and discovery studio programs. Results: Morelloflavone from G. cymosa stem barks has anticancer activity (55.84 µg/mL) eight times lower than doxorubicin (6.99 µg/mL), but it can block the activity of Caspase-9, TNF-α, ER-α, and HER-2. The binding affinity of morelloflavone is the strongest of all ligands. Conclusion: The natural flavonoid morelloflavone potencies as a new lead compound candidate for anticancer agent inhibit mode action mechanism of Caspase-9, TNF-α, ER-α, and HER-2, respectively.