| 刘博文,武越,李晓斌,等.中药治疗慢性乙型病毒性肝炎用药规律及作用机制研究[J].浙江中医药大学学报,2024,48(8):1017-1032. |
| 中药治疗慢性乙型病毒性肝炎用药规律及作用机制研究 |
| Study on the Rule and Mechanism of Traditional Chinese Medicine in Treating Chronic Viral Hepatitis B |
| DOI：10.16466/j.issn1005-5509.2024.08.019 |
| 中文关键词: 慢性乙型病毒性肝炎 数据挖掘 关联规则 聚类分析 网络药理学 分子对接 |
| 英文关键词: chronic viral hepatitis B data mining association rules cluster analysis network pharmacology molecular docking |
| 基金项目: |
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| 中文摘要: |
| [目的] 基于数据挖掘、网络药理学及分子对接技术，探究中药治疗慢性乙型病毒性肝炎的组方用药规律及作用机制。[方法] 检索建库至2022年9月12日中国知网(China National Knowledge Internet，CNKI)、万方数据库、维普数据库收录的有关中药治疗慢性乙型病毒性肝炎的临床研究文献，并进行数据规范与分类，同时使用Excel 2019、Cytoscape 3.8.0及Qrigin 2021软件对符合纳入标准的中药复方进行频次、关联规则及系统聚类等分析，获取用药规律及核心组方。进一步通过中药系统药理学数据库与分析平台(Traditional Chinese Medicine System Pharmacology Database and Analysis Platform，TCMSP)、人类基因数据库(GeneCards)、在线人类孟德尔遗传(0nline Mendelian Inheritance in Man，OMIM)数据库分别获取核心组方活性成分、治疗靶点、疾病相关靶点，利用STRING 11.5数据库和Cytoscape 3.8.0软件进行网络可视化，运用Metascape数据库进行基因本体(gene ontology，GO)功能富集分析和京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes，KEGG)通路富集分析，应用AutoDock Vina 1.2.3软件进行分子对接。[结果] 共纳入方剂192首，包含药物225味，药性以寒、温、平者最为多见，药味以苦、甘、辛为主，多归肝、肺、胃及脾经。功效类型主要为补虚药、清热药、利水渗湿药。关联分析显示常见配伍为白术-郁金-茯苓-丹参、白术-郁金-茯苓、黄芪-珍珠草-丹参等。聚类分析分为4类，聚类效果较好。网络药理学及分子对接提示，核心组方有效成分201种，作用靶点4 208个，疾病靶点2 920个，药物疾病共有交集靶点104个，GO功能富集分析得到生物过程(biological process，BP)1 369条，细胞组分(celluar component，CC)87条，分子功能(molecular function，MF)120条，KEGG通路富集分析获得通路190条，核心成分和核心靶点分子对接结果构象趋于稳定。[结论] 运用文献数据挖掘、网络药理学及分子对接技术，总结出中药治疗慢性乙型病毒性肝炎的用药规律及核心组方，进一步探究到核心组方干预慢性乙型病毒性肝炎潜在的治疗靶点及信号通路，并且分子对接结果良好，能够为今后慢性乙型病毒性肝炎的研究提供思路与方法。 |
| 英文摘要: |
| [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. |
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