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

    May 2025 in “ OPAL (Open@LaTrobe) (La Trobe University) ”
    Behnam Hasannejad-Asl (14072400), Farkhondeh Pooresmaeil (14072403), Sareh azadi (21248999), Ali Najafi (590717), Ali Esmaeili (10281548), Saeid Bagheri-Mohammadi (21249002), Bahram Kazemi (298537)
    TLDR Jamogenin and other molecules from plants may help treat hair loss.
    This study explores the potential of phytochemicals from nettle, saw palmetto, and fenugreek as 5-alpha reductase (5-AR) inhibitors for treating male pattern hair loss. Using computational techniques, the researchers identified 6 molecules—Jamogenin, Neodiosgenin, Chlorogenic acid, Rutin, Riboflavin, and Ursolic acid—that effectively bind to 5-AR. Notably, Jamogenin showed a stronger bond and greater stability when encapsulated in lipid nanoparticles. The study suggests that these molecules, especially Jamogenin, should be further analyzed experimentally in both unencapsulated and nanocarrier-encapsulated forms to enhance hair follicle growth.
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