通过UPLC建立了牵牛子的指纹图谱,并测定了主要抗炎成分的含量.通过网络药理学方法,构建了"成分-靶点-通路"网络,分子对接验证了Q-marker的生物活性,并通过RAW264.7 细胞实验验证了抗炎活性.建立了16批牵牛子的指纹图谱,指认出7个共有色谱峰:绿原酸、新绿原酸、咖啡酸、异槲皮苷和异绿原酸A、B、C;经网络药理学分析,筛选出7个成分的32个核心靶点和6条关键通路;分子对接配体与受体有较强结合能力;一氧化氮(NO)抑制率结果阐明了牵牛子提取物以及7个成分均有抗炎活性.结果表明:绿原酸、新绿原酸、咖啡酸、异槲皮苷和异绿原酸A、B、C可作为牵牛子的潜在抗炎Q-marker,为牵牛子的质量控制以及合理应用提供依据.
The fingerprint of Pharbitidis Semen was established by UPLC,and the main anti-inflammatory components were determined.Then,the network of"component-target-pathway"was constructed through the network pharmacology method,and molecular docking verifies the biological activity of Q-marker,and through the RAW264.7 cell experiment to verify the anti-inflammatory activity.16 batches of Pharbitidis Semen fingerprints were established,and 7 chromatographic peaks were identified,which were neochlorogenic acid,chlorogenic acid,caffeic acid,isoquercitrin,and isochlorogenic acid A,B&C.According to network pharmacology analysis,32 core targets and 6 key pathways of 7 chemical components were screened.Molecular docking ligands have strong binding ability to receptors.The results of NO inhibition rate clarified that the extract of Pharbitidis Semen and the 7 components have anti-inflammatory activity.Conclusion:Chlorogenic acid,neochlorogenic acid,caffeic acid,isoquercitrin,and isochlorogenic acid A,B&C are potential anti-inflammatory Q-markers of Pharbitidis Semen,which can provide the theoretical basis for its quality control and rational application.