基于指纹图谱和网络药理学的干姜质量标志物预测分析

Forecast analysis of the quality markers of Zingiberis Rhizoma based on fingerprints and network pharmacology

基于指纹图谱和网络药理学方法,分析预测干姜中潜在的质量标志物,为干姜的质量控制与评价提供参考。采用超高效液相色谱法建立干姜指纹图谱,确认共有峰并进行指认,通过网络药理学方法构建活性成分-靶点-通路网络图预测干姜质量标志物,再利用分子对接方法验证干姜质量标志物的生物活性。建立了10批干姜指纹图谱,确定共有峰17个,并指认其5个共有成分,分别为6-姜酚、8-姜酚、10-姜酚、6-姜烯酚及8-姜烯酚;通过网络药理学对关键成分靶点的分析结果表明,此5种成分可作用于35个核心靶点,20条关键通路发挥抗癌、抗炎、抗氧化作用;分子对接结果表明,此5种成分与核心靶点结合能力均较强,具有较好的生物活性,初步预测6-姜酚、8-姜酚、10-姜酚、6-姜烯酚和8-姜烯酚可作为干姜的质量标志物。通过指纹图谱结合网络药理学分析预测干姜的质量标志物,为干姜的质量控制和药效作用机制研究提供了参考。

To analyze and predict the potential quality markers(Q-Marker)in Zingiberis Rhizoma based on fingerprints and network pharmacological methods.The fingerprints of 10 batches of Zingiberis Rhizoma slices were established by ultra performance liquid chromatography and the common peaks were identified;then the network diagram of active ingredient target pathway was constructed by network pharmacological method to predict the quality markers of Zingiberis Rhizoma;and the bioactivity of Q-Marker was verified by molecular docking method.Fingerprints of 10 batches of dried ginger were established,and 17 peaks were identified.Five chromatographic peaks were identified by the reference substances of Zingiberis Rhizoma,which were 6-gingerol,8-gingerol,10-gingerol,6-shogaol,and 8-shogaol.The results of network pharmacology showed that these 5 components can act on 35 core targets,and 20 key pathways which play an anti-cancer,anti-inflammatory,and antioxidant role.Molecular docking showed that these 5 components had strong binding capacity with core targets and had good biological activity.It was preliminarily predicted that these five substances could be used as quality markers of dried ginger.Predicting the quality markers of Zingiberis Rhizoma by fingerprint and network pharmacology analysis will provide a reference for the quality control of Zingiberis Rhizoma and for further study on its pharmacodynamic mechanism.