Objective:To preliminarily analyze the potential quality markers(Q-Markers)of Heishun Tablet by combining finger-print,network pharmacology and molecular docking.Methods:High performance liquid chromatography(HPLC)was used to estab-lish the fingerprint of Heishun Tablet and identify the common peaks,and cluster analysis and principal component analysis were performed at the same time.Network pharmacology was employed to construct the"active component-target-pathway"network to predict Q-markers,and molecular docking was used for verification.Results:The fingerprints of 25 batches of Heishun Tablet were established.Eight common peaks were calibrated and 6 of them were identified,which were benzoylmesaconine,benzoylaconine,benzoylaconine,mesaconitine,hypaconitine and aconitine.The similarity ranged from 0.922 to 0.999.Cluster analysis showed that the 25 batches of samples were roughly clustered into two groups,and principal component analysis found that S4,S10 and S11 samples were significantly different from the other batches.Network pharmacology found that six components,including hypoaconi-tine,were the main active components of Heishun Tablet,and mainly played anti-tumor,anti-inflammatory,and cardiovascular pro-tective functions.By molecular docking,the above components all had strong binding activity with the key targets,which might be the potential Q-markers of Heishun Tablet.Conclusion:In this paper,the quality information of Heishun Tablet was obtained from multiple levels,and the Q-markers were preliminarily predicted and verified.It is expected to facilitate the further research on the mechanism of Heishun Tablet and the overall quality control of decoction pieces.
国家科技期刊平台
NSTL
维普
万方数据
