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Published on: March 9, 2015
Exploring the Potential Role of Hydroxytyrosol in Androgenetic Alopecia: An Integrated Bioinformatics and Molecular
Leying Zhang1, Xiaoyang An1, Meihong Xu1,2
1Department of Nutrition and Food Hygiene, School of Public Health, Beijing Key Laboratory of Toxicological Research and Risk Assessment for Food Safety, Peking University, Beijing 100191, China.
Abstract:
Androgenetic alopecia (AGA) is associated with follicular miniaturization, oxidative stress, and microinflammation. Hydroxytyrosol (HT) has antioxidant and anti-inflammatory activities, but its mechanisms in AGA remain unclear. Differentially expressed genes (DEGs) from GSE212301 were intersected with predicted HT targets to identify candidate targets. Enrichment analysis, PPI-based hub gene screening, molecular docking, and molecular dynamics (MD) simulations were performed. A total of 506 DEGs and 24 HT-related AGA candidate targets were identified. These targets were enriched in inflammation- and oxidative stress-related pathways, including MAPK, NF-κB, TNF, and HIF-1 signaling. HMOX1, PTGS2, FOS, and JUN were identified as hub genes. Docking showed favorable binding between HT and these targets, particularly PTGS2. The 50 ns MD simulation supported the relative stability of the HT-PTGS2 complex. HT may modulate AGA-related inflammatory and oxidative stress networks, particularly through HMOX1 and PTGS2, providing a basis for further experimental validation.