Computational Approaches for Breast Cancer Treatment: Targeting EGFR from Drug Design to Molecular Dynamics

The Epidermal Growth Factor Receptor (EGFR) is one of the most important therapeutic targets in the development of anticancer treatments. Its abnormal expression and excessive activation are associated with the progression of numerous types of cancer, including lung, breast, colorectal, pancreatic, and head and neck cancers. Despite significant advances in the development of targeted therapies, drug resistance and adverse effects remain major challenges. In this context, computational approaches provide powerful tools to accelerate the discovery and optimization of novel EGFR inhibitors. Our research team has therefore employed various computational techniques, including molecular modeling, molecular docking, ADMET prediction, and molecular dynamics simulations, to identify promising compounds that may contribute to the development of more effective and selective anticancer therapies.