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基于三七皂苷各组分结构与效应差异的三七皂苷预防和治疗心肌缺血的表征分析技术

[Characterization analysis technique of Panax notoginseng saponin subcomponents for prevention and treatment of myocardial ischemia based on their structure and effect differences].

作者信息

Lin Chuan-Yan, Yang Bing, Xiong Zhi-Wei, Li Chang, Feng Liang, Jia Xiao-Bin

机构信息

the Third Clinical Medical College, Nanjing University of Chinese Medicine Nanjing 210028, China.

the Third Clinical Medical College, Nanjing University of Chinese Medicine Nanjing 210028, China School of Traditional Chinese Medicine, China Pharmaceutical University Nanjing 211198, China.

出版信息

Zhongguo Zhong Yao Za Zhi. 2020 Jun;45(12):2891-2902. doi: 10.19540/j.cnki.cjcmm.20200328.307.

Abstract

According to the structure and effect differences of Panax notoginseng saponin components(PNSC), subcomponent division and network pharmacological characterization were conducted to provide a research basis for the medicinal properties of P.notoginseng saponin subcomponents and the technical design of unit preparations. PNSC were screened by the TCMSP database and subcomponents were classified according to systematic clustering. Then the subcomponents obtained were subjected to target prediction and attribution analysis by PharmMapper server, GeneCards, DisGeNET and HOME-NCBI-GENE database. A subcomponent target interaction network was constructed by using the STRING database. KEGG and GO enrichment analysis were performed on each subcomponent target using the DAVID database. The subcomponents-targets-pathways visualization network was constructed by Cytoscape. The subcomponent targets and pathways involved were compared to analyze the differences in anti-myocardial ischemic drug mechanisms and the rationality of subcomponent division. Eighteen compounds of PNSC were screened out, and classified into three subcomponents A, B, and C according to their properties, involving 67 targets and 17 common anti-myocardial ischemic pathways directly or indirectly related to myocardial ischemia. Subcomponent A had the highest number of targets and the target interaction was dense, possibly indicating its key role in the mechanism of pharmacodynamics. Subcomponents A, B, and C had similar basic structures, and KEGG and GO analysis showed that they all can enhance the heart function and protection of cardiomyocytes by inhibiting apoptosis, promoting angiogenesis and regulating inflammatory response to play the effect on myocardial ischemia. This study fully reflected the differences in the efficacy of various subcomponents in preventing and treating myocardial ischemia due to the different physical properties of P. notoginseng saponin subcomponents. To some extent, the differences in the efficacy of each subcomponent in the prevention and treatment of myocardial ischemia could verify the rationality of the division of P. notoginseng saponin subcomponents according to the structural properties, realizing the characterization of P. notoginseng saponin subcomponents based on structure and effect differences.

摘要

根据三七皂苷成分(PNSC)的结构和效应差异,进行亚成分划分及网络药理学表征,为三七皂苷亚成分的药用特性及单元制剂的工艺设计提供研究依据。通过中药系统药理学数据库与分析平台(TCMSP)数据库筛选PNSC,并依据系统聚类法对亚成分进行分类。然后利用中药分子机制生物信息分析工具(PharmMapper)服务器、基因卡片数据库(GeneCards)、疾病基因数据库(DisGeNET)和同源基因数据库(HOME-NCBI-GENE)对所得亚成分进行靶点预测及归属分析。运用STRING数据库构建亚成分-靶点相互作用网络。使用DAVID数据库对各亚成分靶点进行京都基因与基因组百科全书(KEGG)和基因本体(GO)富集分析。通过Cytoscape构建亚成分-靶点-通路可视化网络。比较所涉及的亚成分靶点及通路,分析抗心肌缺血药物机制差异及亚成分划分的合理性。筛选出18种PNSC化合物,按性质分为A、B、C三个亚成分,涉及67个靶点及17条与心肌缺血直接或间接相关的常见抗心肌缺血通路。亚成分A的靶点数量最多且靶点相互作用密集,可能表明其在药效机制中起关键作用。亚成分A、B、C具有相似的基本结构,KEGG和GO分析表明,它们均可通过抑制细胞凋亡、促进血管生成和调节炎症反应来增强心脏功能及保护心肌细胞,从而发挥抗心肌缺血作用。本研究充分体现了三七皂苷亚成分物理性质不同导致各亚成分在防治心肌缺血方面药效的差异。各亚成分在防治心肌缺血方面药效的差异在一定程度上可验证依据结构性质对三七皂苷亚成分进行划分的合理性,实现基于结构和效应差异的三七皂苷亚成分表征。

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