摘要
目的 通过数据挖掘总结中药治疗射血分数保留心衰(heart failure with preserved ejection fraction,HFPEF)的核心用药,并使用网络药理学和分子对接的方法对核心中药的作用机制进行探索。方法 检索中国知网(CNKI)、万方数据(Wanfang)、维普网(VIP)、中国生物医学文献数据库(CBM)、PubMed、Cochrane Libarary和Embase数据库,收集治疗HFPEF疗效明确的方剂,使用R语言对方剂进行频次、关联规则和聚类分析,得到核心中药。通过TCMSP、GeneCards、GEO等数据库筛选核心中药有效成分和HFPEF相关靶点并取交集靶点,对交集靶点进行基因本体论(gene ontology,GO)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,利用Cytoscape软件构建药物-成分-靶点网络和蛋白互作网络,并筛选关键成分和靶点。使用vina软件对关键成分和核心靶点进行分子对接。结果纳入方剂103首,涉及中药131味,功效以补虚药和活血化瘀药为主,药性多为温、寒,药味以甘、苦和辛味为主,归经多归心、肺和脾经,结合关联规则和聚类分析得出黄芪和丹参为核心中药。网络药理学获得黄芪和丹参85个有效成分,HFPEF相关靶点1696个,交集靶点共117个;GO分析显示主要与氧化应激和对脂多糖的反应有关;KEGG分析显示主要与脂质、动脉粥样硬化、糖尿病并发症等通路有关;筛选出槲皮素、木犀草素、山柰酚、丹参酮ⅡA等10关键成分和14个核心靶点,且关键成分和核心靶点可稳定结合。结论 黄芪和丹参为治疗HFPEF的核心中药,其通过多成分、多靶点调控氧化应激、糖脂代谢和动脉粥样硬化等发挥作用。
Objective The core medication of traditional Chinese medicine(TCM)in treatment of heart failure with preserved ejection fraction(HFPEF)were summarized through data mining and the mechanism of the core TCMs were explored using the methods of network pharmacology and molecular docking.Methods CNKI,Wanfang,VIP,CBM,PubMed,Cochrane Libarary and Embase databases were searched to collect effective prescriptions for HFPEF.The frequency,association rules and cluster of prescriptions were analyzed using R language,the core Chinese medicine was obtained.The relevant targets of core traditional Chinese medicine and HFPEF were screened through TCMSP,GeneCards,GEO and other databases,and the intersection targets were selected,and the gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)pathway enrichment analyses were performed for the intersection targets.Cytoscape software was used to construct the drug-components-target network and protein interaction network,and the key components and targets were screened respectively.Molecular docking of key components and core targets was performed using vina software.Results A total of 103 prescriptions were included in data mining,involving 131 TCMs;The main efficacy categories were tonic and blood-activating and stasis-removing medicines;The properties of medicines were mostly warm and cold;The tastes of medicines were mainly sweet, bitter and pungent;The primary meridian tropisms were heart, lung and spleen;Combined with association rules and cluster analysis, it was concluded that Huangqi (Astragali Radix) and Danshen (Salviae Miltiorrhizae Radix et Rhizoma) were the core Chinese medicines. A total of 85 active ingredients of Astragali Radixand Salviae Miltiorrhizae Radix et Rhizoma, 1696 targets of HFPEF, and 117 intersecting targets were obtained by network pharmacology. GO analysis showed that it was mainly related to oxidative stress and reaction to lipopolysaccharide. KEGG analysis showed that it was mainly related to lipid, atherosclerosis, diabetes complications and other pathways. Ten key components including quercetin, luteolin, kaempferol and tanshinone IIA and 14 core targets were screened, and the key components and core targets could be stably combined. Conclusion Astragali Radix and Salviae Miltiorrhizae Radix et Rhizoma were the core TCMs for the treatment of HFPEF, which play a role in regulating oxidative stress, glucose and lipid metabolism and atherosclerosis through multi-components and multi-targets.
作者
郭红鑫
王建茹
王新陆
李兴渊
朱翠玲
王永霞
朱明军
GUO Hong-xin;WANG Jian-ru;WANG Xin-lu;LI Xing-yuan;ZHU Cui-ling;WANG Yong-xia;ZHU Ming-jun(The First Clinical Medical College,Henan University of Chinese Medicine,Zhengzhou 450000,China;Department of Heart Center,the First Affiliated Hospital of Henan University of Chinese Medicine,Zhengzhou 450000,China)
出处
《中草药》
CAS
CSCD
北大核心
2023年第18期6017-6028,共12页
Chinese Traditional and Herbal Drugs
基金
国家重点研发计划重点专项课题(2019YFC1710003,2019YFC1710000)
国家自然科学基金重点项目(82030120)
河南省中医药科学研究专项课题(2018JDZX009)。
关键词
中药
射血分数保留心衰
黄芪
丹参
槲皮素
木犀草素
山柰酚
丹参酮ⅡA
traditional Chinese medicine
heart failure with preserved ejection fraction
Astragali Radix
Salviae Miltiorrhizae Radix et Rhizoma
quercetin
luteolin
kaempferol
tanshinone IIA
