Inflammatory acne pathogenesis includes androgen-driven sebaceous activity (SRD5A1/2 + AR + SREBP1), ductal hyperkeratinization, Cutibacterium acnes colonization with virulence factor expression (RoxP, GehA, sortase), and inflammatory cascades. Korean traditional medicine documents anti-acne preparations centered on 황련 (Coptis chinensis; berberine, palmatine), 황금 (Scutellaria baicalensis; baicalein, baicalin, wogonin), 감초 (licochalcone A), 목단피 (paeonol), and others. We screen 14 Korean herbal phytochemicals against the human SRD5A2 + AR sebaceous-androgen axis using Boltz-2 cofold (cached MSAs) and ADMET-AI v2.0.1. SREBP1, C. acnes virulence proteins, and SRD5A1 are NOT screened (cached MSAs absent for all four) — a substantial limitation that narrows the present screen to the androgen axis only. Real Boltz-2 results identify Baicalein (황금) as top mean affinity (0.744) with AR engagement 0.820 (highest in panel) and topical-friendly properties; Berberine (황련) shows a critical hERG flag (0.977) disqualifying it from systemic topical formulation without dose limitation, despite reasonable acne-axis engagement. Wogonin (황금) has the cleanest ADMET safety profile (AMES 0.247) at moderate affinity. The Korean traditional formulary's combinatorial pattern of 황련 + 황금 + 감초 finds partial structural support but with the safety caveats above. All results are in silico; sebaceous cell + C. acnes assay validation remain the explicit next step. Keywords: acne, Cutibacterium acnes, SRD5A2, androgen receptor, Korean medicine, baicalein, hERG safety, in silico screening.
Building similarity graph...
Analyzing shared references across papers
Loading...
Cheongwoo Han
Genesis HealthCare
Genesis HealthCare
Building similarity graph...
Analyzing shared references across papers
Loading...
Cheongwoo Han (Tue,) studied this question.
synapsesocial.com/papers/69faa30204f884e66b533a9b — DOI: https://doi.org/10.5281/zenodo.20018370