Exploring the Potential Role of Hydroxytyrosol in Androgenetic Alopecia: An Integrated Bioinformatics and Molecular Simulation Study

This study investigates the potential role of hydroxytyrosol (HT) in treating androgenetic alopecia (AGA) by examining its effects on inflammation and oxidative stress pathways. Researchers identified 506 differentially expressed genes (DEGs) and 24 HT-related AGA candidate targets, focusing on pathways like MAPK, NF-κB, TNF, and HIF-1 signaling. Key hub genes, including HMOX1, PTGS2, FOS, and JUN, were highlighted, with molecular docking showing strong binding between HT and PTGS2. A 50 ns molecular dynamics simulation confirmed the stability of the HT–PTGS2 complex. The findings suggest that HT could modulate AGA-related inflammatory and oxidative stress networks, particularly through HMOX1 and PTGS2, warranting further experimental validation.