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

The study investigates the potential role of hydroxytyrosol (HT), a compound found in olive oil, in treating androgenetic alopecia (AGA) by targeting inflammation and oxidative stress pathways. Using bioinformatics and molecular simulations, researchers identified 506 differentially expressed genes (DEGs) and 24 HT-related candidate targets in AGA, focusing on pathways like MAPK, NF-κB, TNF, and HIF-1 signaling. Key hub genes such as HMOX1 and PTGS2 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, suggesting HT's potential to modulate AGA-related inflammatory and oxidative stress networks, warranting further experimental validation. The study used a small sample size of 10 paired hair follicle samples, highlighting the need for larger studies to validate these findings.