Molecular Docking Studies and ADME-Tox Prediction of Phytocompounds from Punica Granatum Peel as a Potential Anti-Alopecia Treatment

The study investigates the potential of phytocompounds from Punica granatum (pomegranate) peel as an anti-alopecia treatment by targeting the enzyme 5-α-reductase, which is involved in hair loss. Using molecular docking studies, the research identified that lead compounds from the pomegranate peel, specifically Apigenin, Luteolin, and Taxifolin, effectively bind to the 5-α-reductase enzyme with binding energies of -7.15, -7.66, and -7.07 kcal/mol, respectively. These findings suggest that these compounds exhibit strong inhibitory activity against the enzyme, indicating their potential as effective anti-alopecia agents.