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基于数据挖掘与网络药理学探讨中医药治疗肝肾不足型类风湿关节炎的用药规律及作用机制
杨绍锡,徐 婉,高雪琴
0
(贵州中医药大学第二附属医院,贵州 贵阳,550001)
摘要:
目的:探讨中医药治疗肝肾不足型类风湿关节炎(RA)的用药规律,并探索核心药物的作用机制。方法:搜索中国知网(CNKI)、万方数据(WANFANG DATA)、维普中文科技期刊数据库(VIP)自建库至2023年5月5日的中医药治疗肝肾不足型RA的相关文献,利用R语言对处方进行药物频次、频率、性味归经、关联、聚类、相关分析的统计,分析得到核心药物。TCMSP数据库获取核心药物活性成分及靶点,取药物与RA交集靶点作为核心靶点,并进行基因本体(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析。构建药物-活性成分-核心靶点网络、蛋白质-蛋白质相互作用网络(PPI),经分析得到核心成分、关键靶点,并进行分子对接验证。结果:筛选得到54首处方,共149味中药,这些中药多味甘,性温,归肝、肾经,得到48项关联规则,聚类分析发现3个新组方。核心药对与RA的交集靶点144个,分析得到29个活性成分,39个关键靶点。GO功能分析得到1013个结果,KEGG富集分析获得173条通路。分子对接结果示对接靶点与核心成分结合性较好。结论:中医药治疗肝肾不足型RA处方用药多以补肝肾、祛风湿、活血止痛为主,通过辨证配伍温肾阳、健脾益气、活血化瘀等药物。核心药对中的多个有效成分通过调控多靶点、多条通路治疗肝肾不足型RA。
关键词:  肝肾不足型RA  数据挖掘  网络药理学  用药规律  作用机制
DOI:
Medication rule and mechanism of action of traditional Chinese medicine in treatment of rheumatoid arthritis with deficiency of liver and kidney:A study based on data mining
YANG Shaoxi,XU Wan,GAO Xueqin
(The Second Affiliated Hospital of Guizhou University of Traditional Chinese Medicine,Guiyang 550001,Guizhou,China)
Abstract:
Objective:To investigate the medication rule of traditional Chinese medicine (TCM) in the treatment of rheumatoid arthritis (RA) with deficiency of liver and kidney and the mechanism of action of core drugs.Methods:CNKI,WANFANG DATA,and VIP were searched for related articles of TCM in the treatment of RA with deficiency of liver and kidney published up to May 5th,2023.R language was used to perform drug frequency analysis,nature/taste/meridian entry analysis,association analysis,cluster analysis,correlation analysis,and core drugs were obtained.TCMSP database was used to obtain the active components of core drugs and their targets,and the intersecting targets of drugs and RA were obtained as core targets.Gene ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed.A drug-active component-core target network and a protein-protein interaction network were constructed,and analyses were performed to obtain the core components and key targets,with molecular docking performed for validation.Results:A total of 54 prescriptions were obtained,involving 149 TCM drugs.Most drugs had a sweet taste and a warm nature and mainly entered the liver and kidney meridians.A total of 48 association rules were obtained,and the cluster analysis obtained 3 new prescriptions.There were 144 intersecting targets between the core drug combinations and RA,and 29 active components and 39 key targets were obtained.GO functional enrichment analysis obtained 1013 terms,and KEGG pathway enrichment analysis obtained 173 pathways.Molecular docking showed good binding between the targets and the core components.Conclusion:Liver-and kidney-tonifying drugs,wind-damp-dispelling drugs,and blood-activating and pain-relieving drugs are mainly used in the TCM treatment of RA with deficiency of liver and kidney,in combination with kidney Yang-warming drugs,spleen-invigorating and Qi-tonifying drugs,and blood-activating and stasis-resolving drugs based on syndrome differentiation.Multiple effective constituents in the core drug combinations exert a therapeutic effect on RA with deficiency of liver and kidney by regulating multiple targets and pathways.
Key words:  rheumatoid arthritis with deficiency of liver and kidney  data mining  network pharmacology  medication rule  mechanism of action

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