中国中药杂志

2018, v.43(04) 779-785

[打印本页] [关闭]
本期目录(Current Issue) | 过刊浏览(Past Issue) | 高级检索(Advanced Search)

基于网络药理学的紫斑牡丹花、叶抗菌活性和作用机制研究
Exploration on antibacterial activity and mechanism of flowers and leaves from Paeonia rockii based on network pharmacology

包雅婷;王玥;任晓东;黄林芳;曾锐;
BAO Ya-ting;WANG Yue;REN Xiao-dong;HUANG Lin-fang;ZENG Rui;College of Pharmacy,Southwest Minzu University;College of Chemistry,University of California-Riverside;Institute of Medicinal Plant Development,Peking Union Medical College & Chinese Academy of Medical Sciences;

摘要(Abstract):

该研究考察紫斑牡丹花、叶的抗菌活性,筛选其抗菌主要活性成分,预测抗菌靶点,探讨其多成分、多靶点抗菌作用机制。首先,采用微量稀释法测定甲醇、乙酸乙酯提取紫斑牡丹花、叶对金黄色葡萄球菌、表皮葡萄球菌、枯草芽孢杆菌、蜡样芽胞杆菌、大肠杆菌、肺炎克雷伯氏菌、铜绿假单胞菌的最小抑菌浓度(MIC)。其次,利用Uniprot数据库找到相对应的基因靶点,并通过RCSB网站寻找相对应的蛋白亚型的PDB ID以及小分子结构为受体,前期已鉴定的紫斑牡丹花、叶化学成分以Pub Chem等数据库进行结构确认,通过Chem Draw,Avogadro和Discovery Studio Visualizer软件进行配体的构建,采用Quick Vina2.0软件进行分子对接。最后,借助Cytoscape 3.5.1软件绘制活性成分与抗菌靶点网络图,使用Uniprot在线数据库进行靶点基因功能及代谢通路进行分析。实验结果表明紫斑牡丹花、叶提取物具有抗菌活性,紫斑牡丹花甲醇提取物具有最强的抗菌作用。网络分析表明紫斑牡丹花、叶中筛选得到活性成分29个,抗菌靶点18个。通过紫斑牡丹花、叶活性成分与抗菌靶点网络数的比较,预测其抗菌成分主要是黄酮和酚酸,抗菌机制主要是抑制细菌蛋白的合成。该研究通过体外抗菌实验和网络药理学的筛选,发现紫斑牡丹花、叶提取物具有抗菌活性,为紫斑牡丹花、叶抗菌机制研究提供新的思路和线索。
This paper aimed to investigate the antibacterial activity of flowers and leaves from Paeonia rockii,screen antibacterial compounds and predict targets of antibacterial to explore its multi-component,multi-target antibacterial mechanism. In this study,minimal inhibitory concentration(MIC) of seven strains of Staphylococcus aureus,S. epidermidis,Bacillus subtilis,B. cereus,Escherichia coli,Klebsiella pneumoniae and Pseudomonas aeruginosa were determined by microdilution method. Uniprot databases was used to find the antibacterial targets,and RCSB was used to identify targets associated with antimicrobial activity as docked receptor proteins. The candidate active ingredients from flowers and leaves of P. rockii were identified by database such as Pub Chem. The ligands were constructed by Chem Draw,Avogadro and Discovery Studio Visualizer. Quick Vina 2. 0 software was used to molecular docking. Besides,the Cytoscape 3. 5. 1 software was used to construct activity compounds of flowers and leaves from P. rockii ingredients-targets network,and Uniprot software was used to analyze gene ontology and KEGG pathway. In vitro antibacterial experiments found antibacterial effect of the flowers and leaves from P. rockii,especially methanol extraction of flowers has the strongest antibacterial effect. The network pharmacology indicated that total 29 activity ingredients and their 18 targets were screened in flowers and leaves from P. rockii. Comparison of the active ingredients and the number of antimicrobial target networks,it is predicted that the antibacterial components are mainly flavonoids and phenolic acids and main mechanism of antibacterial is to inhibit the synthesis of bacterial proteins. In this study,potential antibacterial activity of flowers and leaves from P. rockii has be found by antibacterial experiments in vitro and network pharmacology screening. And this study provides new clues for further basic study on the antibacterial agents of flowers and leaves from P. rockii.

关键词(KeyWords): 紫斑牡丹;网络药理学;抗菌活性;分子对接
Paeonia rockii;network pharmacology;antibacterial activity;molecular docking

Abstract:

Keywords:

基金项目(Foundation): 国家重点研发计划项目(SQ2017YFC170295);; 四川省科技厅科技支撑计划项目(2014SZ0131);; 四川省基础研究项目(2015JY0009);; 国家“十二五”科技支撑计划项目(2012BAI27B07);; 国家留学基金委项目(CSC201500850007);; 四川省阿坝州应用技术研究与开发项目(YYJS2017004);; 西南民族大学研究生创新科学研究项目(CX2017SZ097)

作者(Author): 包雅婷;王玥;任晓东;黄林芳;曾锐;
BAO Ya-ting;WANG Yue;REN Xiao-dong;HUANG Lin-fang;ZENG Rui;College of Pharmacy,Southwest Minzu University;College of Chemistry,University of California-Riverside;Institute of Medicinal Plant Development,Peking Union Medical College & Chinese Academy of Medical Sciences;

Email:

DOI:

参考文献(References):

扩展功能
本文信息
服务与反馈
本文关键词相关文章
本文作者相关文章
中国知网
分享