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

This study explores the potential of phytochemicals from Urtica dioica, Serenoa repens, and Trigonella foenum-graecum as 5-alpha reductase (5-AR) inhibitors for treating male pattern hair loss. Using computational techniques, the researchers identified six compounds—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 compounds, especially Jamogenin, should be further analyzed experimentally in both encapsulated and unencapsulated forms to assess their potential in promoting hair follicle growth.