Identification of In Vivo Components in Shiduqing Capsule Using High‐Resolution Mass Spectrometry and Network Pharmacology‐Based Analysis of Its Therapeutic Mechanisms Against Eczema

作者：Shuang Li, Zhiyan Liu, Ping Sun, Ayiguzhali Yusun, Mo Sun, Chun Bao, Chenning Zhang · 发表于：Rapid Communications in Mass Spectrometry · 年份：2025 · DOI：10.1002/rcm.10128 · 被引用次数：1 · 研究领域：Computational Drug Discovery Methods、Traditional Chinese Medicine Analysis、Metabolomics and Mass Spectrometry Studies

RATIONALE: Shiduqing Capsule, a clinically widely used Chinese patent medicine, is indicated for skin itching, dryness, and desquamation caused by blood deficiency with wind-dryness syndrome. However, the tissue distribution characteristics of its active components in vivo and its pharmacological mechanisms in treating eczema remain unclear. This study aims to identify the bioactive components of Shiduqing Capsule, characterize their in vivo tissue distribution patterns, and subsequently elucidate the underlying therapeutic mechanisms against eczema based on these findings. METHODS: This study employed high-resolution mass spectrometry (HRMS) coupled with the Global Natural Products Social Molecular Networking (GNPS) platform to comprehensively identify the chemical constituents of Shiduqing Capsule in vivo, while simultaneously characterizing their tissue-specific distribution profiles. Furthermore, network pharmacology approaches were utilized to systematically investigate the therapeutic mechanisms underlying Shiduqing Capsule's efficacy against eczema. RESULTS: Through systematic chemical composition analysis, 51 blood-absorbed components were identified in Shiduqing Capsule using advanced analytical techniques. Further GNPS-assisted mass spectrometry analysis revealed its predominant composition of flavonoids, lipids, terpenoids, and phenylpropanoids. Network pharmacology investigation demonstrated that the capsule's anti-eczema effects are mediated through critical path...