12-Methoxy Carnosic Acid Efficacy Determination and Optimization Through Computational Tools for 5-Alpha Reductase Enzyme and Using Finasteride as Reference Molecule

This paper evaluates the effectiveness of 12-Methoxy carnosic acid, a compound found in rosemary, as an inhibitor of the 5 alpha-reductase enzyme, which is a target for treating alopecia and hair loss. The study compares this natural molecule to finasteride, a well-known synthetic inhibitor, using computational tools such as AutoDock for enzyme configuration, Vina for molecular docking, ChemSketch for drug optimization, PyMOL for visualization, and Open Babel for cheminformatics conversions. The results indicate that 12-Methoxy carnosic acid is a promising natural alternative for hair loss treatment by inhibiting the 5 alpha-reductase enzyme, suggesting that rosemary could be a reliable source for such treatments. The study encourages further research on isolated constituents like carnosic acid and supports the use of computational methods in drug discovery.