基于指纹图谱和网络药理学对经典名方二冬汤质量标志物(Q-Marker)预测分析

Predictive analysis of quality markers of Erdong Decoction based on fingerprint and network pharmacology

目的 基于指纹图谱和网络药理学方法,分析预测二冬汤潜在的质量标志物(quality markers,Q-Marker)。方法 采用HPLC建立15批二冬汤指纹图谱,并对其峰进行指认和归属,同时采用中药色谱指纹图谱相似度评价软件(2012版),并结合层次聚类分析(hierarchical clustering analysis,HCA)对结果进行分析、评价不同批次样品质量差异;基于可测性和可溯源性筛选出6个Q-Marker候选成分,通过网络药理学构建二冬汤“成分-靶点-通路”的网络,分析二冬汤的潜在Q-Marker。结果 建立了26个共有峰的指纹图谱,指认了新芒果苷、芒果苷、金丝桃苷、黄芩苷、汉黄芩苷、甘草酸铵、千层纸素-3-O-β-D-葡萄糖醛酸苷7个共有色谱峰,15批指纹图谱与对照图谱相似度均大于0.97,15批样品聚为2类;采用网络药理学的方法分析得出新芒果苷、芒果苷、金丝桃苷、黄芩苷、汉黄芩苷、甘草酸铵6个成分可能为二冬汤潜在的Q-Marker,其可能通过调节胰岛素、Ras相关蛋白1(Ras-associated protein 1,Rap1)、肝炎等信号通路发挥养阴清热、生津止渴的功效。结论 建立的指纹图谱分析方法灵敏度高、稳定性强、数据准确可靠;并结合网络药理学研究发现6个成分具有传递性和溯源性,且与二冬汤功效有关,可作为其潜在的Q-Marker,为二冬汤进一步研究提供参考。

Objective To analyze and predict the quality markers of Erdong Decoction(二冬汤)based on fingerprint and network pharmacology methods.Analyzing the potential quality markers(Q-Marker)in Erdong decoction by constructing the the network of“compound-target pathway”through network pharmacology.Methods The fingerprints of 15 batches of Erdong Decoction were established by using HPLC method,and their peaks were identified and assigned.At the same time,the results were analyzed and evaluated by using the similarity evaluation software of chromatographic fingerprints of traditional Chinese medicine(2012 Edition)and hierarchical cluster analysis(HCA).Results The fingerprints of 26 common peaks were established and 7 common peaks of neomangiferin,mangiferin,hyperoside,baicalin,wogonside,ammonium and melaleuca-3-O-β-D-glucuronide were identified.The similarity between 15 batches of fingerprints and the control was greater than 0.97,and 15 batches of medicinal materials were grouped into two categories.Using the method of network pharmacology,it is concluded that neomangiferin,mangiferin,hyperoside,baicalin,wogonside and ammonium glycyrrhizinate may be the potential Q-Marker of Erdong decoction,which may play the effects of nourishing yin and clearing heat,promoting fluid production to quench thirst by regulating insulin,Rap1(Ras-associated protein 1)signal pathway,hepatitis and other signal pathways.Conclusion The established fingerprint analysis method has high sensitivity,strong stability and accurate and reliable data.Combined with network pharmacology,it is found that the six components have transmissibility and traceability,and are related to the efficacy of Erdong decoction.It can be used as its potential Q-Marker to provide reference for the further study of Erdong Decoction.