Study on the Rule and Mechanism of Traditional Chinese Medicine in Treating Chronic Viral Hepatitis B
10.16466/j.issn1005-5509.2024.08.019
- VernacularTitle:中药治疗慢性乙型病毒性肝炎用药规律及作用机制研究
- Author:
Bowen LIU
1
;
Yue WU
;
Xiaobin LI
Author Information
1. 北京中医药大学 北京 100029
- Keywords:
chronic viral hepatitis B;
data mining;
association rules;
cluster analysis;
network pharmacology;
molecular docking
- From:
Journal of Zhejiang Chinese Medical University
2024;48(8):1017-1032
- CountryChina
- Language:Chinese
-
Abstract:
[Objective]Based on data mining,network pharmacology and molecular docking technology,to explore the rule and mechanism of Chinese medicine in the treatment of chronic viral hepatitis B.[Methods]Clinical research literature on Chinese medicine treatment of chronic viral hepatitis B collected in China National Knowledge Internet(CNKI),Wanfang Database and VIP Database from establishment to September 12,2022,were searched,and the data were standardized and classified.Meanwhile,Excel 2019,Cytoscape 3.8.0 and Qrigin 2021 software were used to analyze the frequency,association rules and systematic clustering of the Chinese medicine compounds meeting the inclusion criteria,and obtain medication rules and core prescriptions.The Traditional Chinese Medicine System Pharmacology Database and Analysis Platform(TCMSP),Human Gene database(GeneCards)and Online Human Mendelian Inheritance in Man(OMIM)database were used to obtain core prescription active ingredients,therapeutic targets and disease-related targets,respectively.The STRING 11.5 database and Cytoscape 3.8.0 software were used for network visualization,and the Metascape database was used for gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis,AutoDock Vina 1.2.3 software were used for molecular docking.[Results]A total of 192 prescriptions were included,including 225 drugs.The drug properties were cold,warm and normal,and the drug flavors were bitter,sweet and acrid,mostly attributed to liver,lung,stomach and spleen channels.The main types of action were deficiency tonic,heat-clearing,diuretic and dehydrating.Association analysis showed that the common compatibility was Atractylodes macrocephala-Curcumae radix-Poria cocos-Salvia miltiorrhiza,Atractylodes macrocephala-Curcumae radix-Poria cocos,Astragalus membranaceus-Phyllanthus urinaria-Salvia miltiorrhiza.The clustering analysis was divided into 4 categories,and the clustering effect was good.Network pharmacology and molecular docking suggested 201 kinds of active ingredients,4 208 targets,2 920 disease targets,104 overlapping targets of drug diseases,and 1 369 biological processes(BP),celluar component(CC)87,molecular function(MF)120 were identified by GO functional enrichment analysis,and KEGG pathway enrichment analysis identified 190 pathways,the conformation of the core components and core target molecular bonding results tended to be stable.[Conclusion]By using literature data mining,network pharmacology and molecular docking technology,the drug use rules and core formulations of traditional Chinese medicine in the treatment of chronic viral hepatitis B were summarized,and the potential therapeutic targets and signaling pathways of the core formulations in the intervention of chronic viral hepatitis B were further explored,and the molecular docking results were good,which could provide ideas and methods for the future research of chronic viral hepatitis B.
