Molecular Docking Study of Anti-Alopecia Activity in Compounds Found in Dadap Serep Leaves (Erythrina subumbrans (Hassk.) Merrill)

The study investigates the potential anti-alopecia properties of compounds found in the leaves of Erythrina subumbrans using molecular docking methods. Among the 12 compounds tested, Erythrabyssin II showed the most promise as an anti-alopecia agent, with a molecular weight of 396.5 g/mol and a molecular formula of C25H28O4. It demonstrated a Gibbs free energy (ΔG) of -9.6 and an inhibition constant (KI) of 0.090 µM, interacting with specific amino acid residues in the Janus kinase 2 (JAK 2) receptor. The study concludes that Erythrina subumbrans leaves could be a natural candidate for anti-alopecia treatment, recommending further clinical testing to assess pharmacological effects.