基于指纹图谱和网络药理学的黄芩质量标志物预测研究

Prediction of Q-markers for Radix Scutellariae Based on Fingerprint and Network Pharmacology

目的:基于中药质量标志物(Q-marker)的概念,建立高效液相色谱法(HPLC)指纹图谱,并测定2种成分的含量,同时应用网络药理学方法探讨2种成分的潜在作用靶点进行反向筛选,从而确定黄芩药材的质量标志物。方法:采用HPLC建立10批黄芩药材的指纹图谱,并进行含量测定。结合网络药理学分析有效成分的对应靶点和途径并构建“活性成分-重要靶点-通路”,探究黄芩发挥药理作用特点,预测出潜在的Q-marker。结果:建立的黄芩药材指纹图谱共标定12个共有峰,指认2个成分并确定其含量。10批样品指纹图谱与对照图谱的相似度均大于0.970。“化合物-预测靶点”网络筛选出8个关键靶点,相关9条通路,涉及到癌症通路、炎症通路、免疫通路等。结论:本研究所建立的HPLC准确、可行,筛选出2种成分可作为潜在Q-marker,以网络药理学验证黄芩主成分相关的靶点作用机制,进一步确认黄芩中黄芩苷、汉黄芩苷作为Q-marker的可行性,为黄芩质量控制提供参考。

Objective:Based on the concept of Q-marker,high performance liquid chromatography(HPLC)fingerprints were established for Radix Scutellariae and the content of two components was determined.Via network pharmacology,the potential targets of the two components were predicted for determining the Q-markers of the medicinal.Methods:The HPLC fingerprints of 10 batches of Radix Scutellariae were established,and the content of baicalin and wogonoside was determined.Based on network pharmacology,the targets of the active components and related pathways were analyzed and the“component-target-pathway”network was plotted.Thereby,pharmacological characteristics of Radix Scutellariae were clarified and the potential Q-markers were forecasted.Results:The fingerprints of Radix Scutellariae shared 12 peaks.Two of them were identified,namely,baicalin and wogonoside,and the content was determined.The fingerprints of the 10 batches of samples showed>0.970 similarity to the reference fingerprint.A total of 8 key targets which were involved in 9 pathways such as inflammation pathway,cancer pathway,and immune pathway,were screened out.Conclusion:The HPLC method is accurate and reliable,and two components can be used as potential Q-markers of Radix Scutellariae.The mechanism related to the principal components of Radix Scutellariae was further tested by network pharmacology,which confirmed that baicalin and wogonoside can be used as Q-markers of the medicinal.The result is expected to serve as a reference for quality control of Radix Scutellariae.