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基于网络药理学探讨“红花-桃仁”药对防治冠心病的作用机制
Study on the Mechanism of "Safflower-Peach Kernel" on Prevention and treatment of Coronary Heart Disease based on Network Pharmacology
投稿时间:2019-03-05  修订日期:2019-03-26
DOI:
中文关键词:  “红花-桃仁”  活性成分  冠心病  网络药理学  作用机制
英文关键词:Safflower-peach kernel  active components  coronary heart disease  network pharmacology  mechanism of action
基金项目:贵州省科技支撑计划,黔科合支撑[2017]2841,贵阳市现代药业计划,筑科合同2018-11-3
作者单位E-mail
高 源 贵州省食品检验检测所 贵州贵阳 youaremygy@163.com 
季 伟 贵州省食品检验检测所 贵州贵阳  
肖 丹 贵州省食品检验检测所 贵州贵阳  
刘 井 贵州省食品检验检测所 贵州贵阳  
彭丹冰 贵州省食品检验检测所 贵州贵阳  
彭 源 武警贵州省总队医院 youaremygy@163.com 
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中文摘要:
      摘要:目的:采用网络药理学的方法,筛选“红花-桃仁”药对防治冠心病的作用靶点,揭示“红花-桃仁”防治冠心病的中医配伍机制。方法:通过查阅文献(PubMed、CNKI)、中药系统药理学数据库(TCMSP)检索“红花-桃仁”的所有化学成分,以ADME参数(OB≥30%和 DL≥0.15)及药效活性为标准,筛选“红花-桃仁”的活性化合物,然后通过BATMAN-TCM数据库,筛选活性化合物的作用靶点,建立靶点数据集;使用 Cytoscape3.6.1软件构建“活性化合物-靶点-疾病”复杂网络关系图;运用STRING数据库、生物学信息注释数据库(DAVID)进行蛋白互作关系分析、基因本体(GO)功能富集分析和基于京都基因与基因组百科全书(KEGG)通路富集分析研究其防治冠心病的配伍机制。结果:共检索出255个化合物,其中38个化合物作为活性化合物;共检索出718个作用靶点,通网络拓扑特征评价筛选出10个潜在作用靶点与药对防治冠心病的配伍机制最为密切,利用DAVID数据库对10个潜在作用靶点进行基因GO功能富集分析和KEGG通路富集分析,筛选出66个生物过程和18条信号通路参与“红花-桃仁”药对防治冠心病的作用。而与“红花-桃仁”药对防治冠心病最为密切的信号通路包括肿瘤坏死因子信号通路、疟疾、非洲锥虫病、NOD样受体信号通路等,同时其主要涉及的生物过程包括脂多糖介导的信号通路、序列特异性DNA结合转录因子活性的正调控、蛋白磷酸化的正调控、蛋白激酶B信号转导、一氧化氮生物合成过程的正调控等;其防治冠心病的机制主要是通过上调或下调这些生物过程和信号通路,发挥多成分、多靶点、多途径相须协同增效的生物学效应。结论:网络药理学为揭示“红花-桃仁”防治冠心病的中医配伍机制提供了新的思路和方法,也为“红花-桃仁”药对的深入研究及开发利用提供了现代科学内涵。
英文摘要:
      Abstract: Objective: By using the method of network pharmacology, the target of safflower-peach kernel on prevention and treatment of coronary heart disease (CHD) was screened, and the TCM compatibility mechanism of "safflower-peach kernel" in prevention and treatment of coronary heart disease (CHD) was revealed. Methods: All chemical constituents of "Safflower-Peach Kernel" were searched by consulting literatures (PubMed, CNKI) and pharmacology database of traditional Chinese medicine (TCMSP). The criteria were ADME parameters (OB ≥ 30% and DL ≥ 0.15) and pharmacodynamic activities. Screening the active compound of "Safflower-Peach Kernel", Then BATMAN-TCM database was used to screen the targets of active compounds, and the complex network of "active compounds-targets-diseases" was constructed by using Cytoscape3.6.1 software. STRING database and biological information annotated database (DAVID) were used to analyze the protein-protein interaction. The functional enrichment analysis of gene ontology (GO) and the (KEGG) pathway enrichment analysis based on Kyoto gene and genome encyclopedia were used to study the compatibility mechanism of prevention and treatment of coronary heart disease. Results: A total of 255 compounds were retrieved, of which 38 were active compounds, and 718 targets were identified, and 10 potential targets and compatibility mechanism of drugs for prevention and treatment of coronary heart disease were screened out by network topology evaluation, and the mechanism of compatibility of drugs for prevention and treatment of coronary heart disease (CHD) was the most closely related. DAVID database was used to analyze the functional enrichment of GO and the enrichment of KEGG pathway in 10 potential targets. 66 biological processes and 18 signaling pathways involved in the prevention and treatment of coronary heart disease (CHD) were screened out by using "Safflower-Peach Kernel" (Safflower-Peach Kernel). The most important signaling pathways, such as tumor necrosis factor signaling pathway, malaria signaling pathway, African trypanosomiasis signaling pathway, NOD-like receptor signaling pathway, and so on, are closely related to safflower-peach kernel drug in the prevention and treatment of coronary heart disease. At the same time, the biological processes involved include the signal pathway mediated by lipopolysaccharide (LPS), the positive regulation of sequence specific DNA binding transcription factor activity, the positive regulation of protein phosphorylation, the signal transduction of protein kinase B, and the biological activity of nitric oxide (no). The positive regulation of synthesis process and so on; the mechanism of its prevention and treatment of coronary heart disease is mainly through up-regulation or down-regulation of these biological processes and signaling pathways, giving play to multi-component, multi-target and multi-way synergistic biological effects. Conclusion: Network pharmacology provides a new idea and method for revealing the TCM compatibility mechanism of safflower-peach kernel for the prevention and treatment of coronary heart disease, and also provides a modern scientific connotation for the in-depth research and development of safflower-peach kernel drug pair.
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