NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2020, Vol. 32 ›› Issue (8): 1302-1315.doi: 10.16333/j.1001-6880.2020.8.005

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Study on the mechanism of Xiaoyaosan in the treatment of primary liver cancer based on network pharmacology and molecular docking

SHANG Zhi-hao1,PAN Cheng-zhen1,MA Yue-hui1, XIE Zhuo-rong1,WEI Zi-yi1,LUO Wei-sheng1,PENG Yue1,CEN Yan-hui1,2*#br#

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  1. 1Guangxi University of Chinese Medicine; 2The First Affiliated Hospital of Guangxi University of Chinese Medicine,Nanning 530000,China

  • Online:2020-08-28 Published:2020-09-02

Abstract:

To explore the mechanism of intervention of Xiaoyaosan in primary hepatocellular carcinoma (HCC).Using the method of network pharmacology,pharmacology by traditional Chinese medicine (TCM) system technology platform (TCMSP) website retrieval Xiaoyaosan of main active components and the corresponding targets.Using GEO database selection and analysis of the differences of primary liver cancer gene,Cytoscape3.7.2 software was used to construct the active ingredient - target network diagram.Using Biso Genet plug-in analysis filter PPI protein interactions and PPI network of key nodes,then using bioinformatics methods on key targets for gene function analysis and pathway enrichment analysis.Finally,molecular docking technology was used to verify the docking between the core components of the compound and the key targets.Through analysis,27 intersection genes of Xiaoyaosan acting on HCC were obtained,and GO enrichment showed that the biological functions of Xiaoyaosan were mainly related to the cellular reactions of inorganic substances,chemokine activities,and cyclin-dependent complexes of cells.The pathways enriched by KEGG pathway showed the influence of xiaoyao powder mainly included cell senescence signaling pathway,steroid hormone biosynthesis signaling pathway and p53 signaling pathway.Molecular docking results showed that the core components of Xiaoyaosan had good affinity with the key targets of HCC.In summary,Xiaoyaosan improves the existence of multiple components,multiple targets and multiple pharmacological effects in HCC,providing clues for further research on the treatment of HCC.

Key words: network pharmacology, gene chip, molecular docking, primary liver cancer, Xiaoyaosan, action mechanism

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