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This study explores the potential of quercetin and kaempferol, two plant-derived flavonoids, as dual inhibitors of JAK3 kinase and 5-alpha reductase type 2 (5-AR2) for treating androgenetic alopecia (AGA). Using molecular docking simulations, quercetin showed the strongest binding affinity to JAK3 kinase, surpassing the reference drug tofacitinib, while both flavonoids demonstrated moderate binding to 5-AR2, within the inhibitory range for polyphenolic flavonoids. Quercetin's favorable ADMET profile, including suitable skin permeability and safety, highlights its promise for topical application. These findings support further research into these compounds as safer, natural alternatives for AGA management.

This study explores the potential of quercetin and kaempferol, two plant-derived flavonoids, as dual inhibitors of JAK3 kinase and 5-alpha reductase type 2 (5-AR2) for treating androgenetic alopecia (AGA). Using molecular docking simulations, quercetin showed the strongest binding affinity to JAK3 kinase, surpassing the standard drug tofacitinib, while both flavonoids demonstrated moderate binding to 5-AR2, within the inhibitory range for polyphenolic flavonoids. Quercetin's favorable ADMET profile, including suitable skin permeability and safety, highlights its promise for topical application. These findings support further research into these compounds as safer, natural alternatives for AGA management.