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
May 2026
in “
Zenodo (CERN European Organization for Nuclear Research)
”
TLDR Biochanin A from soy is a promising and safe candidate for treating hair loss.
This study evaluates 15 Korean herbal compounds for their potential in treating androgenetic alopecia (AGA) by targeting the SRD5A2, androgen receptor (AR), and beta-catenin pathways using a multi-layer in silico framework. Saponin Re from Panax ginseng and Emodin from Polygonum multiflorum were identified as top candidates based on affinity, though they present safety concerns such as skin reactions and AMES toxicity. Biochanin A from soy and Astragalus membranaceus showed a favorable safety profile, making it a promising candidate for topical application. The study highlights the need for further validation in dermal papilla cell cultures and scalp organoids, with all findings being computational and not yet experimentally verified.