Multi-Target Evaluation of Korean Herbal Compounds Against the SRD5A2 / AR / Beta-Catenin Axis for Androgenetic Alopecia: Boltz-2 Cofold, ChEMBL-Anchored Ranking, ADMET-AI 107-Endpoint Safety Panel, and Pilosebaceous Single-Cell Atlas-Constrained Prioritization of Saponin Re, Emodin, and Biochanin A

This study evaluates Korean herbal compounds for their potential in treating androgenetic alopecia (AGA) by targeting the SRD5A2, androgen receptor (AR), and beta-catenin pathways. Using a four-layer in silico framework, the research identifies Saponin Re from Panax ginseng and Emodin from Polygonum multiflorum as top candidates based on mean affinity scores. However, both compounds have safety concerns, with Emodin showing significant skin reaction and AMES toxicity risks. Biochanin A from soy and Astragalus membranaceus is highlighted as a safer option with a favorable profile for topical application. The study emphasizes that these findings are computational predictions and require further validation in dermal papilla cell cultures and scalp organoid models. No experimental or clinical data are provided, and the study does not claim any commercial product development.