Preparation, Characterization, and Molecular Docking Study of Some New Pyrazole Derivatives Derived from 2-Mercaptobenzothiazole

The study synthesized and characterized new pyrazole derivatives from 2-mercaptobenzothiazole to evaluate their potential as 5-alpha-reductase inhibitors for treating androgenetic alopecia (AGA). Using FT-IR and ¹H-NMR spectroscopy, the compounds were analyzed, and molecular docking studies revealed that compounds 3a, 3c, and 3b had strong binding affinities with the enzyme's active site. Compound 3a showed the highest MolDock score of 172.891, indicating strong interaction with the target enzyme. These results suggest that the pyrazole derivatives could serve as potential treatments for AGA, but further laboratory and animal testing is needed to confirm their efficacy and safety in humans.