当归六黄汤质量标志物的发现及其作用机制解析研究

目的：基于中药质量标志物（Q-marker）“五原则”和网络药理学,为当归六黄汤的质量控制研究提供参考,并为其临床应用提供科学依据。方法：根据Q-marker“五原则”对当归六黄汤的质量标志物进行筛选,再利用中药系统药理学数据库（TCMSP）、ChEMBL与Swiss Target Prediction平台获取功效标志物的潜在作用靶点,构建当归六黄汤质量标志物的蛋白互作网络。利用拓扑、GO、KEGG富集分析构建“关键靶点-信号通路-生物过程”网络,进而阐释当归六黄汤质量标志物的作用机制。结果：根据“五原则”和网络药理学综合分析,筛选阿魏酸、黄芪甲苷、梓醇、汉黄芩素、地黄苷D、黄芩苷、黄柏碱、汉黄芩苷、小檗碱作为当归六黄汤的质量标志物,这些标志物可能通过作用于MAPK、雌激素、PI3K-Akt等通路从而调节MAPK级联、基因表达、一氧化氮生物合成过程抑制炎症。结论：本研究初步探究当归六黄汤的质量标志物及其作用机制,为当归六黄汤的机制研究和临床应用提供更有利的科学依据与理论基础。

Study on Discovery of Quality Markers for Danggui Liuhuang Decoction and Its Action Mechanism

Objective: Based on the "five principles" of traditional Chinese medicine quality markers (Q-marker) and network pharmacology, to provide reference for the quality control of Danggui Liuhuang Decoction, and to provide scientific basis for its clinical application. Methods: The quality markers of Danggui Liuhuang Decoction were screened according to the "five principles" of Q-markers, and the potential targets of the efficacy markers were obtained by using the TCM System Pharmacology Database (TCMSP), ChEMBL and Swiss Target Prediction platform. And the Protein-protein Interaction network of quality markers of Danggui Liuhuang Decoction was constructed. Topology, GO and KEGG enrichment analyses were used to construct the "key target-signal pathway-biological process" network, and then the mechanism of the quality markers of Danggui Liuhuang Decoction was explained. Results: According to the "five principles" and network pharmacological analysis, ferulic acid, astragaloside, catalpol, wogonin, rehmannioside D, baicalin, phellodendrine, wogonoside and berberine were selected as quality markers for Danggui Liuhuang Decoction. These markers may regulate inflammation by acting on MAPK, estrogen, PI3K-Akt and other pathways, thereby regulating the MAPK cascade, gene expression and nitric oxide biosynthesis. Conclusion: This study preliminarily explore the quality markers of Danggui Liuhuang Decoction and its mechanism of action. It provides more favorable scientific basis and theoretical basis for the mechanism research and clinical application of Danggui Liuhuang Decoction.