Mechanism Analysis of Strengthening Anti-cerebral Ischemia Injury of Chuanxiong Rhizoma Processed with Wine Based on UHPLC-Q-Orbitrap HRMS and Integrated Network Pharmacology
10.13422/j.cnki.syfjx.20220146
- VernacularTitle:基于UHPLC-Q-Orbitrap HRMS和整合网络药理学的川芎酒制后增强抗脑缺血损伤作用机制分析
- Author:
Ke PEI
1
;
Yan NING
2
;
Hao CAI
3
;
Li-long CAO
1
;
Ting-ting ZHAO
1
;
Zi-han YU
1
;
Gang CAO
2
;
Ying-li WANG
1
;
Shuo-sheng ZHANG
1
Author Information
1. Shanxi Modern Chinese Medicine Engineering Laboratory，College of Traditional Chinese Medicine （TCM） and Food Engineering，Shanxi University of Chinese Medicine，Jinzhong 030619，China
2. Research Center of TCM Processing，College of Pharmacy， Zhejiang Chinese Medical University，Hangzhou 310053，China
3. Engineering Research Center for Standardization and Normalization of TCM Processing，Ministry of Education，School of Pharmacy，Nanjing University of Chinese Medicine，Nanjing 210023，China
- Publication Type:Journal Article
- Keywords:
Chuanxiong Rhizoma;
wine-processed;
cerebral ischemia;
ultra high performance liquid chromatography tandem quadrupole orbitrap high resolution mass spectrometry （UHPLC-Q-Orbitrap HRMS）;
network pharmacology;
molecular docking
- From:
Chinese Journal of Experimental Traditional Medical Formulae
2022;28(12):164-173
- CountryChina
- Language:Chinese
-
Abstract:
ObjectiveTo analyze the differential components in water extract of Chuanxiong Rhizoma before and after processing with wine， and to explore the molecular mechanism of Chuanxiong Rhizoma processed with wine in enhancing anti-cerebral ischemia injury. MethodUltra high performance liquid chromatography tandem quadrupole orbitrap high resolution mass spectrometry （UHPLC-Q-Orbitrap HRMS） was used to qualitatively analyze the main chemical components in water extract of Chuanxiong Rhizoma based on the spectral information of compound， comparison of reference substance and references. The chemical pattern recognition method was used to screen the differential components of Chuanxiong Rhizoma before and after processing. Based on these differential components， the potential targets of differential components were predicted by online databases， and the related targets of cerebral ischemia were searched. Cytoscape 3.6.0 was used to establish the network diagram of differential components-action targets-diseases of Chuanxiong Rhizoma processed with wine. The protein-protein interaction （PPI） network of intersection targets was constructed by STRING 11.5. The potential targets of differential components against cerebral ischemia were analyzed by Gene Ontology （GO） and Kyoto Encyclopedia of Genes and Genomes （KEGG） enrichment analysis through DAVID 6.8. At the same time， the chemical compounds with high relative content and increased peak area after wine processing were docked with their corresponding targets to verify the mechanism of enhanced effect after wine processing. ResultA total of 71 chemical components were identified from Chuanxiong Rhizoma， 34 differential components and 603 potential targets were screened out. At the same time， a total of 769 disease targets and 60 intersection targets were obtained. Seven key targets were identified through PPI network analysis， including JUN， signal transducer and activator of transcription 3 （STAT3）， mitogen-activated protein kinase 3 （MAPK3）， interleukin-1β （IL-1β）， vascular endothelial growth factor A （VEGFA）， Caspase-3 （CASP3） and mtrix metalloproteinase 9 （MMP9）. Tumor necrosis factor （TNF） signaling pathway was the main differential signaling pathway. The results of molecular docking showed that differential components （senkyunolide K， senkyunolide F， 3-n-butylphthalide， Z，Z′-6，8′，7，3′-diligustilide， ferulic acid and Z-ligustilide） and corresponding targets had good binding activities. ConclusionThe synergistic mechanism of Chuanxiong Rhizoma processed with wine may be related to the enhanced inhibitory effect of inflammatory reaction.
