基于指纹图谱和网络药理学对舒筋活血片的质量标志物预测分析

Q-marker Prediction Analysis of Shujin Huoxue Tablets Based on Fingerprint and Network Pharmacology

关键词:  舒筋活血片  指纹图谱  网络药理学  质量标志物

Key words:  Shujin Huoxue tablets  fingerprint  network pharmacology  Q-maker

摘要:

目的 基于指纹图谱和网络药理学分析预测舒筋活血片（Shujin Huoxue tablets，SHT）中的质量标志物（Q-maker）。方法 建立SHT的指纹图谱，利用中药色谱指纹图谱相似度评价系统软件（2012年版）进行分析；采用网络药理学筛查和分析指纹图谱共有峰的作用靶点和通路，构建"成分-靶点-通路"网络，预测SHT中潜在的Q-maker。结果 通过代表性样品建立了SHT的指纹图谱，并测定了相似度，部分批次<0.8，推测可能为生产工艺差异所致。指认共有峰9个，分别为5-羟甲基糠醛、原儿茶酸、原儿茶醛、紫丁香苷、绿原酸、羟基红花黄色素A、络石苷、4-甲氧基水杨醛和杠柳毒苷；通过网络药理学筛选出9个活性成分、30个核心靶点和10条关键通路；基于Q-maker"五原则"分析预测羟基红花黄色素A、原儿茶酸、原儿茶醛、4-甲氧基水杨醛、络石苷、紫丁香苷为其潜在的Q-marker。结论 通过指纹图谱和网络药理学分析预测SHT中的Q-maker，为全面控制SHT的质量提供依据，为进一步研究SHT的作用机制提供参考。

Abstract:

OBJECTIVE To analyze and predict the Q-marker of Shujin Huoxue tablets(SHT) based on fingerprint and network pharmacology. METHODS The fingerprints of SHT were established and analyzed by using the Similarity Evaluation System Software for Chromatographic Fingerprint of Traditional Chinese Medicine(2012 edition). The network pharmacology was used to screen and analyze the function targets and pathways of related components of SHT. The "ingredients-targets-pathways" network was constructed to predict the potential Q-marker of SHT. RESULTS The fingerprints of SHT were established through representative samples, and the similarity was determined. The similarity of some batches were <0.8, which may be caused by the difference of production process. Nine common ingredients were identified including 5-hydroxymethylfurfural, protocatechuic acid, protocatechuic aldehyde, syringin, chlorogenic acid, hydroxysafflor yellow A, tracheloside, 4-methoxysalicylaldehyde and periplocin. A total of 9 active ingredients, 30 core target sites and 10 key pathways of SHT were screened out through network pharmacology system. Hydroxysafflor yellow A, protocatechuic acid, protocatechuic aldehyde, syringin, tracheloside and 4-methoxysalicylaldehyde were predicted as potential Q-marker based "Five Principles" of Q-marker. CONCLUSION In this study, the Q-marker of SHT are analyzed by fingerprint and network pharmacology, which provides reference for quality control of SHT, and for further study on the mechanism of SHT.