基于高效指纹图谱和网络药理学的琥珀消石颗粒质量标志物预测

Q-marker Prediction of Hupo Xiaoshi Granules Based on High-efficiency Fingerprinting and Network Pharmacology

目的:基于高效指纹图谱和网络药理学预测琥珀消石颗粒(HXG)中质量标志物(Q-Marker)。方法:构建HXG的高效液相色谱(HPLC)指纹图谱检测手段,指认共有峰和归属;应用网络药理学技术构建HXG的“成分-靶点-通路”网络图,预测其潜在Q-Marker。结果:HXG的指纹图谱结果共指认出5个共有峰;网络药理学确定了5种关键组成、35个潜在核心靶点和6条重要通路,初步预测槲皮素-3-O-(2G-α-L-鼠李糖基)-芸香糖苷、山柰酚-3-O-芸香糖苷、β-蜕皮甾酮、槲皮素、山柰素为HXG潜在的Q-Marker。结论:通过高效指纹图谱和网络药理学分析预测了HXG中的Q-Marker,方法科学并且可重复,为HXG的质量标准提供依据,也为今后系统研究其作用机制提供研究基础。

Objective:To predict the quality markers(Q-markers)of Hupo Xiaoshi Granules(HXG)based on high-efficiency fingerprinting and network pharmacology.Methods:An high-performance liquid chromatography(HPLC)fingerprinting method was established to identify and assign the common peaks in HXG.Network pharmacology was applied to construct a“component-target-pathway”network to predict potential Q-markers in HXG.Results:The fingerprinting results of HXG identified five common peaks.The network pharmacology analysis revealed five key components,35 potential core targets,and six important pathways in HXG.Based on this analysis,the potential Q-markers of HXG were preliminarily predicted to be quercetin-3-O-(2G-α-L-rhamnosyl)-rutinoside,kaempferol-3-O-rutinoside,β-ecdysterone,quercetin,and kaempferol.Conclusion:The prediction of Q-markers in HXG using high-efficiency fingerprinting and network pharmacology analysis is a scientific and reproducible method,which can provide a basis for establishing the quality standards of HXG and serve as research foundation for future research on its mechanisms of action.