目的 基于指纹图谱及网络药理学，建立旋覆代赭汤（Xuanfu Daizhe Decoction，XDD）的指纹图谱分析方法，并对其功效关联物质进行预测分析，为XDD质量控制提供参考依据。方法 运用HPLC色谱法建立旋覆代赭汤物质基准对应实物（material standard corresponding material，XDD/MSCM）指纹图谱分析方法，匹配共有峰，并对各共有峰进行归属分析，基于文献及指纹图谱筛选XDD活性成分，通过网络药理学建立“成分-靶点-通路”网络，进一步佐证XDD功效成分选择的合理性。结果 建立了XDD/MSCM指纹图谱分析方法，对多批次XDD/MSCM样品进行测定，标定36个共有峰，通过对照品指认出甘草苷、1，5-O-二咖啡酰奎宁酸、人参皂苷Rg₁、人参皂苷Re、1-O-乙酰旋覆花内酯、人参皂苷Rb₁、甘草酸、6-姜辣素8个色谱峰，各批次样品相似度均>0.90，且36个共有峰均能明确归属到旋覆花、人参、生姜、甘草4味饮片；采用网络药理学对甘草苷、1，5-O-二咖啡酰奎宁酸、人参皂苷Rg₁、人参皂苷Re、1-O-乙酰旋覆花内酯、人参皂苷Rb₁、甘草酸、6-姜辣素8个药效成分进行机制预测，富集的通路中含磷脂酰肌醇-3-羟激酶-蛋白激酶B（phosphatidylinositol-3-hydroxykinase-protein kinase B，PI3K-Akt）信号通路、低氧诱导因子1（hypoxia-inducible factor 1，HIF-1）信号通路等与止呕及抗炎作用相关。结论 建立的XDD指纹图谱分析方法稳定可行，通过归属分析明确色谱峰的来源，为XDD后续制剂的研究提供参照基准，且结合网络药理学发现XDD 8个成分与XDD功效属性密切相关，可作为其潜在的功效关联物质，为XDD指标成分选择的合理性提供依据，同时为经典名方的研究提供参考。

Objective Based on fingerprints and network pharmacology, the fingerprint analysis method of Xuanfu Daizhe Decoction (旋覆代赭汤, XDD) is established, and its efficacy related substances are predicted and analyzed, which provides a reference for the quality control of XDD.Methods HPLC method was used to establish the fingerprint analysis method of XDD material standard corresponding material (XDD/MSCM) and the common peaks were matched, at the same time, the attribution analysis of each common peak was performed. The active ingredients of XDD were screened based on literature and fingerprints, and The "component-target-pathway" network was established through network pharmacology, which further supported the rationality of functional components selection for XDD. Results A method for fingerprint analysis of XDD/MSCM was established. The samples of multiple batches of XDD/MSCM were determined. A total of 36 common peaks were calibrated. Eight chromatographic peaks including liquiritin and 1,5-di-O-caffeoylquinic acid, ginsenoside Rg₁, ginsenoside Re, 1-O-acetyl britannilactone, ginsenoside Rb₁, glycyrrhizic acid, 6-gingerol could be determined by reference substance. The similarity of the sub-samples were > 0.90, and the 36 common peaks could be clearly assigned to four pieces of Xuanfuhua (Inulae Flos), Renshen (Ginseng Radix et Rhizoma), Shengjiang (Zingiberis Rhizoma Recens), and Gancao (Glycyrrhizae Radix et Rhizoma). The mechanism of eight medicinal ingredients of liquiritin and 1,5-di-O-caffeoylquinic acid, ginsenoside Rg₁, ginsenoside Re, 1-O-acetyl britannilactone, ginsenoside Rb₁, glycyrrhizic acid, 6-gingerol was predicted by network pharmacology, and the enriched pathway contained phosphatidylinositol-3-hydroxykinase-protein kinase B (PI3K-Akt) signaling pathway, hypoxia-inducible factor 1 (HIF-1) signaling pathway related to anti-vomiting and anti-inflammatory effects. Conclusion The fingerprint analysis method of XDD established in this study is stable and feasible. The source of the chromatographic peaks is clarified through the attribution analysis, which provides a reference for the study of subsequent preparations of XDD. In addition, combined with network pharmacology, it was found that eight components were closely related to the efficacy properties of XDD, which could be used as potential efficacy related substances, providing a basis for the rationality of the selection of index components of XDD, and providing a reference for the study of classical formulas.

R283.6

国家重点研发计划（2018YFC1707000）；南京市栖霞区产学研合作及科技成果转化项目