AI-enabled discovery and evaluation of polyceptin for anti–hair-loss applications

Hair loss encompasses a range of conditions with heterogeneous causes, contributing to variable responses to existing treatments that often address only limited aspects of follicle dysfunction. Leveraging an AI-enabled bioactive discovery strategy, we identified Polyceptin, a novel small molecule, and evaluated its efficacy and safety for anti–hair-loss applications using complementary in vitro models and preliminary human assessment. In an AGA-like in vitro system, testosterone- stressed human dermal papilla cells (KNU201) exhibited significantly improved cell viability following Polyceptin treatment. In addition, Polyceptin demonstrated robust activity in a 3D spheroid co- culture model of dermal papilla and keratinocyte cells, enhancing hair-like structure elongation and showing substantially greater performance than the reference compound valproic acid. Standardized safety assessments revealed no cytotoxicity or skin sensitization potential. A single-arm, pre–post human use study involving over 30 male and female volunteers with varying degrees of hair loss showed early anti–hair-loss benefits across mild, moderate, and severe cases. Collectively, these findings indicate that Polyceptin exhibits favorable efficacy and safety profiles and support its potential application as an AI-discovered bioactive ingredient for next-generation cosmeceutical solutions targeting hair loss.