Unlocking Novel Therapeutic Avenues: Drug Repurposing and Virtual Screening for Breast Cancer Targeting the Estrogen Receptor

This study explores the potential of drug repurposing for breast cancer therapy through virtual screening of Food and Drug Administration (FDA)-approved drugs against breast cancer-related targets. The estrogen receptor alpha ligand-binding domain, a key player in breast cancer progression, served as the primary target for virtual screening. Utilizing the DrugRep Virtual Screening Server and AutoDockVina, several compounds were identified with high binding affinities to the target protein. Notably, estradiol, benzhydrocodone, and ezetimibe emerged as top hits, showcasing diverse physicochemical properties and suggesting novel therapeutic possibilities. The structural fidelity of the estrogen receptor complex was validated through PDB-REDO refinement, enhancing the reliability of the binding interactions predicted. These findings underscore the potential of drug repurposing as a strategy for uncovering new therapeutic options in breast cancer treatment, warranting further biological validation and clinical exploration