[关键词]
[摘要]
目的 研究芍药甘草汤抗肝损伤活性成分,并测定主要活性成分的含量,为基于药理活性的中药质控指标成分的选择提供一种新思路。方法 首先采用指纹图谱结合化学计量学分析芍药甘草汤潜在质量标记物。在此基础上,基于可测性和可溯性的原则,采用网络药理学和分子对接方法,验证芍药甘草汤抗肝损伤的主要活性成分,并对指标性成分进行含量测定。结果 指纹图谱结合化学计量学,整合网络药理学筛选出芍药甘草汤抗肝损伤主要活性成分为芍药苷(Paeoniflorin, PA)、芍药内酯苷(Albiflorin, AB)、苯甲酰芍药苷(Benzoylpaeoniflorin, BPA)、没食子酸(Gallic acid, GA)、甘草苷(Liquiritin, LQ)、芹糖异甘草苷(Isoliquiritinapioside ILQA)、异甘草苷(Isoliquiritin, ILQ)、新异甘草苷(Neoisoliquiritin, NILQ)、甘草素(Liquiritigenin, LQG)和甘草酸(Glycyrrhizic acid, GCA);关键靶点有IL-6、VEGFA、CASP3、STAT3和ESR1,分子对接结果显示化合物与靶点能良好结合。含量测定方法学考察结果良好,各成分的平均加样回收率在96.54-104.38%,RSD值在0.39-1.17%。结论 本研究明确了芍药甘草汤抗肝损伤作用的活性成分、关键靶点及通路,为基于药理活性的中药质量控制指标的选择提供一种新思路。
[Key word]
[Abstract]
Objective To study the anti-liver injury active ingredients of Shaoyao Gancao Decoction by fingerprint with the aid of chemical recognition model and network pharmacology, and determine the content of the main active ingredients, so as to provide a new idea for the selection of Traditional Chinese medicine quality control indexes based on pharmacological activities.Methods Fingerprint combined with chemical recognition model was used to analyze the index components affecting the quality of Shaoyao Gancao Decoction. Then network pharmacology and molecular docking verification were used to analyze the main symbolic components of Shaoyao Gancao Decoction anti-liver injury based on the principle of testability and traceability. Finally, the anti-liver injury active ingredients of Shaoyao Gancao Decotion were determined.Results Paeoniflorin, albiflorin, benzoylpaeoniforin, gallic acid, liquiritin, isoliquiritinapioside, isoliquiritin, neoisoliquiritin, liquirigenin, glycyrrhizic acid were the main anti-liver injury components of Shaoyao Gancao Decoction by fingerprint with chemical recognition model integrated network pharmacology; The key targets were IL6, VEGFA, CASP3, STAT3, and ESR1. The results of molecular docking showed that the compound could bind well to the target. The results of quantitative analysis and methodological investigation were good. The average recoveries of 10 components were 96.54-104.38%. The RSD value was 0.39-1.17%.Conclusion This study clarified the active components, key targets and pathways of Shaoyao Gancao Decoction against liver injury, and provided a new idea for the selection of quality control indicators of traditional Chinese medicine based on pharmacological activity.
[中图分类号]
[基金项目]
河北省自然科学基金委员会面上项目(H2019423050):芍药甘草汤抗肝损伤药效物质及作用机制研究;负责人:牛丽颖;河北省中医药管理局科研计划项目(2020130):基于谱效关联研究芍药甘草汤抗肝损伤药效物质及其作用机制;负责人:吴玲芳;河北中医学院优秀青年基金项目(YQ2020006):基于Ca2+调控的白芍总苷抗肝损伤活性成分及作用机制研究;负责人:吴玲芳。