Siti Imroatul Maslikah, Atikah Amalia
Cancer is a disease characterized by abnormal cell growth in body tissues. The HER-2 protein is a receptor on breast cells that control the growth of breast cells. However, the HER-2 gene does not work properly, and the overexpression of HER-2 becomes uncontrollable. Trastuzumab is indicated for the treatment of early-stage breast cancer by overexpressing HER-2. Previous studies reported that Ziziphus mauritiana Lam. leaves have anticancer effects. The purpose of this study was to determine the mechanism of inhibition of overexpression of HER-2 protein by β-amyrin and lupeol compounds by molecular docking. Molecular docking is done by optimizing the structure of the 3D compound and docking between the compound and the HER-2 protein, which refers to the bond energy parameter where the lower the bond energy value, the stronger and more stable the bond will be. The docking results were obtained in the form of the binding energy of β-amyrin and lupeol compounds with HER-2 protein, namely -9 kcal/mol and -9.2 kcal/mol, while the binding energy of Trastuzumab with HER-2 protein was -8.6 kcal/mol. The binding energy indicates that β-amyrin and lupeol compounds have potential as anticancer breast cancer because they can inhibit the overexpression of the HER-2 protein. © 2023 American Institute of Physics Inc.. All rights reserved.
Biology Department, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Malang, Indonesia