Comparative Study of the Chemical Profile, Cytotoxic Activity, and Molecular Docking of Serenoa Repens Extract and a Pharmaceutical Product

    October 2025 in “ Scientific Reports ”
    Ehab M. Mostafa, Nasser M. Aldekhail, Taghreed S. Alnusaire, Shaimaa Hussein, Alaa Khedr, Mohammed A. AlAwadh, Samy Selim, Haifa A. S. Alhaithloul, Komla Mawunyo Dossouvi, Ahmed Ismail
    The study compares the chemical profile, cytotoxic activity, and molecular docking of Serenoa repens extract (S1) and a pharmaceutical product containing Serenoa repens (S2). Using LCHR-ESI-MS, approximately 50 bioactive constituents, mainly polyphenols, were identified in both samples. The MTT cytotoxic study on Pc3 and DU-145 prostate cancer cell lines showed that both S1 and S2 have anti-inflammatory, pro-apoptotic, and anti-androgenic effects, with S1 showing higher activity against Pc3 and S2 against DU-145. Molecular docking and MD simulation studies identified Quercetin-3-(6''-malonyl)-Glucoside and Luteolin 7-(6''-malonylneohesperidoside) as having significant inhibitory potential against CDK2. These findings suggest Serenoa repens' potential as a natural treatment and guide the development of more effective pharmaceutical formulations.
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