目的 基于UPLC-MS/MS技术分析鉴定经典名方广枣三味汤的化学成分，结合网络药理学预测其治疗冠心病（CHD）的质量标志物（Q-Marker），并建立相应含量测定方法。方法 采用UPLC-Q-Exactive Orbitrap-MS/MS技术解析广枣三味汤的化学成分；通过中药系统药理学数据库与分析平台（TCMSP）预测化学成分对应靶点，借助PubChem数据库获取CHD相关靶点，利用STRING及DAVID数据库进行核心靶点与相关通路分析，最终通过Cytoscape 3.10.1构建“中药复方-成分-靶点-疾病”网络，依据度值筛选功效成分；结合Q-Marker“五原则”预测潜在Q-Marker，并建立多指标HPLC含量测定方法。结果经自建数据库匹配与对照品比对，从广枣三味汤中鉴定出76个化学成分，包括黄酮类26个、有机酸类15个、生物碱类8个、香豆素类6个、萜类4个及其他类化合物17个。网络药理学分析显示，广枣三味汤的功效成分以黄酮类、生物碱类及有机酸类为主，主要作用于甘油醛-3-磷酸脱氢酶（GAPDH）、肿瘤坏死因子（TNF）、B细胞淋巴瘤-2蛋白（BCL2）、雌激素受体1（ESR1）、环氧化酶-2（PTGS2）等核心靶点，通过调控磷酸肌醇3激酶（PI3K）-蛋白激酶B（Akt）、丝裂原活化蛋白激酶（MAPK）等信号通路发挥抗CHD作用。筛选苦参碱、槐定碱、没食子酸、香草酸及芦丁为潜在Q-Marker，所建立的多指标HPLC含量测定方法准确简便。结论 初步明确了广枣三味汤治疗CHD的药效物质基础，筛选出潜在QMarker，为该方剂的临床合理应用及质量控制提供科学依据。

Objective To analyze and identify the chemical components of the classic prescription Guangzao Sanwei Decoction based on UPLC-MS/MS technology, predict its quality markers (Q-Markers) for the treatment of coronary heart disease (CHD) using network pharmacology, and establish a corresponding content determination method. Methods The chemical components of Guangzao Sanwei Decoction were analyzed using UPLC-Q-Exactive Orbitrap-MS/MS technology. The corresponding targets of the chemical components were predicted through the traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP), and the CHD-related targets were obtained from the PubChem database. The core targets and related pathways were analyzed using the STRING and DAVID databases, and a “Chinese herbal formula-component-target-disease” network was constructed using Cytoscape 3.10.1. The effective components were screened based on the degree value. Potential Q-Markers were predicted in combination with the “five principles” of Q-Markers, and a multi-index HPLC content determination method was established. Results Through self-built database matching and comparison with reference substances, 76 chemical components were identified in Guangzao Sanwei Decoction, including 26 flavonoids, 15 organic acids, eight alkaloids, six coumarins, four terpenoids, and 17 other compounds. Network pharmacology analysis showed that the effective components of Guangzao Sanwei Decoction were mainly flavonoids, alkaloids, and organic acids, which mainly acted on core targets such as glyceraldehyde-3-phosphate dehydrogenase (GAPDH), tumor necrosis factor (TNF), B-cell lymphoma-2 protein (BCL2), estrogen receptor 1 (ESR₁), and cyclooxygenase-2 (PTGS2), and exerted anti-CHD effects by regulating the phosphatidylinositol 3-kinase (PI3K)-protein kinase B (Akt) and mitogen-activated protein kinase (MAPK) signaling pathways. Matrine, sophoridine, gallic acid, vanillic acid, and rutin were selected as potential Q-Markers, and the established multi-index HPLC content determination method was accurate and simple. Conclusion This study initially clarified the material basis of the therapeutic effect of Guangzao Sanwei Decoction on CHD, screened potential Q-Markers, and provided a scientific basis for the rational clinical application and quality control of this formula.

R289.1;R291.2

国家自然科学基金青年科学基金项目（82104349； 82374038）；江苏省中医药科技发展计划面上项目（MS2023179）