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

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.