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基于网络药理学探讨山奈酚治疗慢性阻塞性肺疾病的作用机制

To explore the mechanism of kaempferol in the treatment of chronic obstructive pulmonary disease based on network pharmacology

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【作者】 陈晓如张鹏

【Author】 CHEN Xiaoru;ZHANG Peng;School of Medicine, Shantou University;Department of Pharmacy, Longgang District People’s Hospital,Shenzhen;Clinical Laboratory Office of Luohu District People’s Hospital,Shenzhen;

【通讯作者】 张鹏;

【机构】 汕头大学医学院深圳市龙岗区人民医院药学部深圳市罗湖区人民医院临床实验机构办

【摘要】 目的 基于网络药理学探讨分析山奈酚在慢性阻塞性肺疾病(COPD)中的作用机制。方法 运用中药系统药理学数据库与分析平台(TCMSP),收集山奈酚的活性成分及相关靶点蛋白;通过GeneCards、TTD及OMIM数据库获得COPD相关靶点基因;挖掘山奈酚与COPD交集靶点,构建蛋白互作(PPI)网络,并完成基因本体(GO)及京都基因和基因组百科全书(KEGG)富集,并完成分子对接。结果 筛选获得山奈酚性化学成分42种,共罗列20种活性成分,运用Uniprot筛重后获得山奈酚靶点1483个,疾病作用靶点1439个,共同靶点128个;不同靶点之间能相互作用及影响,发挥抗炎、抗氧化应激、延缓肺气肿进展、改善肺功能等作用;GO条目2337个,药物机制主要与调控炎症反应及氧化应激等有关;KEGG富集通路中获得通路95条,可能与核因子-κB信号通路、炎症因子信号通路及氧化应激通路等有关;山奈酚与COPD结合能均<-5 kcal/mol,说明该化合物与靶点之间具有良好的结合活性。结论 山奈酚可能通过多靶点及多通路作用,调控炎症反应及氧化应激等过程,从而发挥治疗COPD的功效,能为山奈酚在COPD治疗中的应用提供理论参考。

【Abstract】 Objective To explore the mechanism of action of kaempferol in chronic obstructive pulmonary disease(COPD) based on network pharmacology.Methods The active components and related target proteins of kaempferol were collected using the TCMSP platform. The target genes related to COPD were obtained from the GeneCards, TTD, and OMIM databases. The intersection targets of kaempferol and COPD were identified, and a protein-protein interaction(PPI) network was constructed. Gene Ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment analyses were performed, and molecular docking was completed. Results A total of 42 chemical components of kaempferol were screened, and 20 active components were listed. After screening with Uniprot, 1483 kaempferol targets and 1439 disease-related targets were obtained, with 128 common targets. Different targets can interact and influence each other, exerting anti-inflammatory, antioxidant stress, and anti-progression of emphysema effects, as well as improving lung function. There were 2337 GO terms, and the drug mechanism was mainly related to the regulation of inflammatory response and oxidative stress. 95 KEGG enrichment pathways were obtained, which may be related to the nuclear factor-κB signaling pathway, inflammatory factor signaling pathway, and oxidative stress pathway. The binding energy of kaempferol and COPD was all <-5 kcal/mol, indicating that the compound has good binding activity with the targets. Conclusion Kaempferol may exert therapeutic effects on COPD through multi-target and multi-pathway actions, regulating inflammatory response and oxidative stress processes, providing a theoretical basis for the application of kaempferol in the treatment of COPD.

  • 【分类号】R285
  • 【下载频次】42
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