基于超高效液相色谱-四级杆-静电场轨道阱和网络药理学技术的清肝颗粒质量评价研究

目的：阐明清肝颗粒治疗黄疸性肝炎的物质基础，建立科学的质量控制方法。方法：采用超高效液相色谱-四级杆-静电场轨道阱（UPLC-Q-Exactive-Orbitrap-MS）技术对清肝颗粒的活性成分进行表征分析；以清肝颗粒中鉴定出的活性成分为目标对象，进行网络药理学和分子对接研析，并建立多成分含量测定方法。结果：共鉴定出134个成分，其中黄酮类50个、糖苷类8个、苯丙素类17个、三萜类11个、萜类6个、氨基酸类11个、有机酸类9个、脂肪酸类7个、生物碱类8个、挥发油类5个、醌类1个，并解析了黄酮类、萜类、有机酸类、生物碱类以及糖苷类代表性化合物的裂解规律。通过网络药理学分析筛选出8个核心靶点。预测了主要活性成分为异甘草素、腺苷、甘草素、鸟苷、4,5-二咖啡酰奎宁酸等。其次，依据可测性、特征性以及活性相关性的原则，建立了3,4-二咖啡酰奎宁酸、(R,S)-告依春、甘草素、4,5-二咖啡酰奎宁酸和甘草酸铵等5个潜在活性成分的含量测定方法。结论：筛选出了清肝颗粒治疗黄疸性肝炎的主要药效活性成分，并展开定量研究，可为清肝颗粒质量控制水平的提高提供了依据。

Quality Evaluation of Qinggan Granules Based on UPLC-Q-Exactive-Orbitrap-MS and Network Pharmacology

To elucidate the material basis of Qinggan Granules in treating icteric hepatitis and establish a scientific quality control method.Methods:The active components of Qinggan Granules were characterized and analyzed using ultra-high-performance liquid chromatography-quadrupole-electrostatic field orbitrap mass spectrometry(UPLC-Q-Exactive-Orbitrap-MS).Network pharmacology and molecular docking were conducted with the identified active components as target objects，and a multi-component quantification method was established.Results:A total of 134 components were identified，including 50 flavonoids，8 glycosides，17 phenylpropanoids，11 triterpenoids，6 terpenoids，11 amino acids，9 organic acids，7 fatty acids，8 alkaloids，5 essential oils，and 1 quinone.The fragmentation patterns of representative compounds from flavonoids，terpenoids，organic acids，alkaloids，and glycosides were analyzed.Network pharmacology analysis identified 8 core targets，and the main active components were predicted to be isoglycyrrhizin，adenosine，glycyrrhizin，guanosine，and 4,5-dicaffeoylquinic acid.Based on measurability，characteristic features，and activity relevance，a quantification method for five potential active components，including 3,4-dicaffeoylquinic acid，(R,S)-goitrin，glycyrrhizin，4,5-dicaffeoylquinic acid，and ammonium glycyrrhizinate，was established.Conclusion:The main pharmacologically active components of Qinggan Granules in treating icteric hepatitis were identified and quantitatively studied，providing a basis for improving the quality control of Qinggan Granules.