Structure-based virtual screening of natural compounds in preventing skin senescence: The role of epigallocatechin gallate in protein kinase C alpha-specific inhibition against UV-induced photoaging.

This study combines high-throughput screening and virtual molecular docking to identify natural compounds targeting PKC in skin aging. Go 6983, a PKC inhibitor, showed potent suppression of MMP-1 transcription. EGCG was one of the candidates that showed it could significantly lower UVB-induced MMP-1 expression in HaCaT cells, and it had a strong affinity for PKCα. Interestingly, EGCG is exclusively bound to PKCα, not the δ and ζ isoforms. Blocking PKCα did not elevate UVB-induced MMP-1 expression in HaCaT cells. In a model of human skin, EGCG stopped collagen breakdown and changes in epidermal thickness that were caused by UV light from the sun. This suggests that EGCG could be useful in dermatology and drug development. These findings highlight the role of structure-based screening in identifying candidate compounds with applications in the cosmetic, dermatological, preventive health, and pharmaceutical fields.