Determination of the Interaction between HER2 Receptor and Tomentosine by Molecular Docking

Tomentosine and the HER2 gene are important molecules in cancer research. HER2 is a protein receptor on the cell surface that mediates cell growth signals. This protein encoded by the HER2 gene can cause excessive growth and spread of tumor cells, especially in some types of cancer such as breast cancer. Tomentosine, as a plant-derived compound, attracts attention with studies on its biological effects. The study evaluated the propensity of HER2 protein to bind to tomentosine and the therapeutic potential in cancer cases. The interactions of the molecules were analyzed using AutoDock 4.0. As a result, it was found that there is a multidirectional binding between HER2 and tomentosine, which was measured to be -8.47 (Gibbs free energy). These findings show that there is a high affinity and binding potential between HER2 protein and tomentosine. Therefore, it is thought that this study will provide a pioneer for future invitro studies.