Influencing hair regrowth with EGCG by targeting glycogen synthase kinase-3β activity: a molecular dynamics study

This study investigates the potential of EGCG, NMN, and Resveratrol as inhibitors of glycogen synthase kinase-3β (GSK3β) to promote hair regrowth. Using computational techniques, EGCG demonstrated the highest molecular docking scores and stability in dynamic simulations, maintaining stable interactions with GSK3β over 200 nanoseconds. EGCG showed significant inhibitory interaction, suggesting it could positively influence hair follicle cycling. These findings highlight EGCG as the most potent GSK3β inhibitor among the studied compounds, setting the stage for further experimental testing to explore its potential in treating alopecia.