Computational Drug Discovery of Potential 5α-Reductase Phytochemical Inhibitors and Hair Growth Promotion Using In Silico Techniques

    May 2025 in “ Frontiers in Bioinformatics
    Behnam Hasannejad-Asl, Farkhondeh Pooresmaeil, Seifollah Azadi, Ali Najafi, Ali Esmaeili, Saeid Bagheri‐Mohammadi, Bahram Kazemi
    TLDR Jamogenin from plants may help hair growth and is a potential alternative to finasteride.
    The study investigates the potential of phytochemicals as 5α-reductase inhibitors to promote hair growth, focusing on compounds from Urtica dioica, Serenoa repens, and Trigonella foenum-graecum. Using computational methods like molecular docking and molecular dynamics simulations, six promising phytochemicals were identified, with jamogenin showing the most potential as a 5-AR inhibitor. Encapsulation of jamogenin in lipid nanoparticles enhanced its stability, suggesting it as a viable alternative to traditional treatments like finasteride, which have significant side effects. The study highlights jamogenin as a promising candidate for further research in hair growth promotion, though additional experimental studies are needed to confirm its efficacy and safety.
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