Identifying the active components and mechanisms of Persicae Semen in treating androgenetic alopecia: Insights from network pharmacology and experimental evaluations

ETHNOPHARMACOLOGICAL RELEVANCE: Androgenic alopecia (AGA) is the most prevalent form of hair loss, which affects self-perception and life satisfaction. Current treatments for AGA are limited. In Traditional Chinese Medicine, Persicae Semen (Taoren, TR) is used in formula to mitigate alopecia. However, the principal active constituents and their mechanisms of action in anti-alopecia effects remain fully undefined. AIM OF THE STUDY: This study aimed to elucidate the active constituents and multifaceted mechanisms of TR in AGA treatment through network pharmacology analysis, molecular docking, and experimental validation. MATERIALS AND METHODS: The chemical constituents of TR were systematically characterized using ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). In addition, a comprehensive compound-disease-target interaction network was constructed to elucidate the molecular mechanism underlying its therapeutic effects on AGA. Molecular docking was performed to validate the interactions between the key bioactive components and core targets. Furthermore, a multi-level pharmacological investigation comprising in vitro cellular assays, ex vivo organ studies, and in vivo animal experiments was conducted to preliminarily explore the therapeutic mechanisms by which high-content active compound treated AGA. RESULTS: UPLC-Q-TOF-MS analysis identified 32 chemical constituents in TR. Through integrated network pharmacology analysis, six bioactive components and 10 core targets were systematically screened for molecular docking, which revealed therapeutic pathways primarily involved in anti-inflammatory responses, angiogenesis, and hair follicle microenvironment modulation. Given its high abundance and superior bioactivity, amygdalin (Am) was selected as the primary research focus. Combined with the pathological mechanism of the disease, which was confirmed through in vitro and in vivo experiments, Am promoted hair regeneration by regulating genes, proteins and inflammatory factors related to the androgen, Wnt/β-catenin, and vascular endothelial growth factor pathways. CONCLUSIONS: In this study the multi-component, multi-target, and multi-pathway mechanisms underlying the therapeutic effects of TR on AGA as well as the molecular mechanism by which Am treats AGA was elucidated. These findings provide substantial theoretical foundations and experimental evidence for the development of novel AGA therapeutics based on TR and its active constituents.