Exploring the Mechanism of Stigmasterol Against Androgenetic Alopecia Using Geometry Optimization, Network Pharmacology, Molecular Docking, and Molecular Dynamics Studies

    May 2026 in “ Scientific Reports ”
    Ifeanyi Edozie Otuokere, Comfort M. Ngwu, J. I. Iheanyichukwu, O. M. Mac-kalunta, Felix Chigozie Nwadire, Chinedum Ifeanyi Nwankwo, Joy N. Egbucha, Stella Mbanyeaku Ufearoh, Helen O. Chukwuemeka-Okorie, Nwokoma Esomchi Uzoma, Adeniji Moshood Oluwaseyi
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    TLDR Stigmasterol may help treat hair loss, but more research is needed.
    The study investigates the potential of stigmasterol (STR) as a therapeutic agent for androgenetic alopecia (AA) using various computational methods. STR was found to interact with 63 common genes related to AA, with 10 core genes identified for their roles in androgenic signaling, hair cycling, and inflammatory pathways. Molecular docking showed STR had a strong binding affinity, particularly with MAPK3, surpassing that of finasteride. Molecular dynamics simulations confirmed the stability of the STR-MAPK3 complex. These findings suggest STR could regulate AA-related mechanisms, but further empirical studies are needed to confirm its clinical application.
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