基于指纹图谱、多指标定量和网络药理学的蓍草质量标志物预测分析

Predictive Analysis of Achillea alpina Quality Markers Based on Fingerprinting,Multi-indicator Quantification and Network Pharmacology

目的:采用指纹图谱和网络药理学的方法,分析预测蓍草的潜在中药质量标志物(Q-Marker)。方法:采用高效液相色谱法建立蓍草的指纹图谱,对21批蓍草进行相似度评价并对共有峰进行指认和归属,再运用网络药理学方法,构建“成分-靶点-通路”网络图,分析预测蓍草的Q-Marker,并测定其含量。结果:建立了21批蓍草的指纹图谱,相似度均大于0.910,确认了13个共有峰,通过对照品比对指认出6个色谱峰并测定其含量,6个峰分别为绿原酸、异绿原酸B、异绿原酸A、异绿原酸C、百蕊草素Ⅱ和3,4,5-三咖啡酰奎宁酸。经网络药理学分析筛选出发挥抗炎、抗菌作用的绿原酸、百蕊草素Ⅱ和3,4,5-三咖啡酰奎宁酸3个活性成分,38个核心靶点和20条关键通路。初步预测绿原酸、百蕊草素Ⅱ和3,4,5-三咖啡酰奎宁酸可作为蓍草潜在的Q-Marker。结论:预测分析得到的蓍草QMarker,为蓍草药材质量控制提供一定参考,为后续其药效物质基础及作用机制研究奠定基础。

Objective:To analyze and predict the potential herbal quality maker(Q-Marker)of Achillea alpina by using fingerprinting and network pharmacology.Methods:The fingerprints of A.alpina were established by high performance liquid chromatography(HPLC).The similarity of 21 batches of A.alpina was evaluated and the common peaks were identified and attributed.The Q-Markers of A.alpina were analyzed and their contents were determined by network pharmacology.Results:The fingerprints of 21 batches of A.alpina were established,and the similarity was greater than 0.910.13 peaks were identified,and 6 peaks were identified by control comparison,namely chlorogenic acid,isochlorogenic acid B,isochlorogenic acid A,isochlorogenic acid C,astragalin and 3,4,5-tricaffeoylquinic acid.The network pharmacology analysis identified 3 active ingredients,38 core targets and 20 key pathways for the anti-inflammatory and antibacterial effects.The preliminary prediction was that chlorogenic acid,astragalin and 3,4,5-tricaffeoylquinic acid could be used as potential Q-Markers for A.alpina.Conclusion:The Q-Markers obtained from the prediction analysis could provide some reference for the quality control of A.alpina herb and lay the foundation for the subsequent study of its pharmacological basis and mechanism of action.