| 引用本文:张颖，邱汉波，侯恩存，覃凤飞，郭东霖，周尧红，赵艺蔓，郑景辉.基于网络药理学-分子对接研究益气逐淤汤针对胃癌的作用机制[J].世界中医药,2021,(23):. |
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| 基于网络药理学-分子对接研究益气逐淤汤针对胃癌的作用机制 |
| Research of the Mechanism of Yiqi Zhuyu Decoction in the Treatment of Advanced Gastric Cancer Based on Network Pharmacology and Molecular Docking |
| 投稿时间：2020-05-25 |
| DOI：10.3969/j.issn.1673-7202.2021.23.014 |
| 中文关键词: 网络药理学 分子对接 益气逐瘀汤 胃癌 作用通路 靶点 作用机制 信号通路 |
| English Keywords:Network pharmacology Molecular docking Yiqi Zhuyu Decoction Gastric cancer Pathway of action Target Mechanism of action Signal pathway |
| 基金项目:北京医卫健康公益基金会医学科学研究基金项目（YWJKJJHKYJJ-F3208D）——安罗替尼口服联合以雷替曲塞作为灌注药物的TACE治疗中晚期肝癌的研究 |
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| 中文摘要: |
| 目的：通过网络药理学-分子对接方法研究益气逐瘀汤针对胃癌的作用机制。方法：通过中药系统药理学数据库与分析平台（TCMSP）、中医百科全书数据库（ETCM）获得益气逐瘀汤所有药物的化学成分和作用的有关靶点，通过GeneCards、OMIM、GEO数据库筛选出胃癌的靶点，通过运用R语言取交集进行维恩分析，对得到的靶点导入Cytoscape 3.7.2软件中，构建活性成分靶点网络，并将其导入String数据库，构建蛋白质-蛋白质相互作用(PPI）网络，并利用Cytoscape 3.7.2中的Bisogenet插件进行网络拓扑分析。同时运用R语言Bioconductor平台对益气逐瘀汤治疗胃癌的潜在靶点进行基因本体（GO）富集分析和京都基因和基因组百科全书（KEGG）富集分析，并将结果导入Cytoscape 3.7.2软件中绘图，得到KEGG网络关系图。运用分子对接软件Autodock vina，将核心靶点与活性成分对接，最后用Plmoy绘制图片。结果：共得到216个化学成分和1 105疾病靶点，其中交集靶点38个。关键靶点包括IL-6、MMP9、PTGS2.GO功能分析主要与脂多糖的表达，氧化酶还原活性等有关。KEGG分析显示益气逐瘀汤治疗胃癌主要是通过IL-17、TNF、核因子κB、TLR和癌症相关信号通路发挥作用。分子对接结果显示与MMP9结合性能最好。结论：益气逐瘀汤治疗胃癌是通过多成分、多靶点来发挥作用，为进一步研究其作用机制奠定了基础。 |
| English Summary: |
| To study the mechanism of“Yiqi Zhuyu Decoction” in the treatment of advanced gastric cancer based on network pharmacology and molecular docking.Methods:Through the TCM System Pharmacology Database and Analysis Platform (TCMSP) and the Encyclopedia of Traditional Chinese Medicine Database (ETCM),we obtained the relevant targets of the chemical composition and action of all medicines of Yiqi Zhuyu Decoction,and screened out the targets of gastric cancer through GeneCards,OMIM,and GEO databases Point,by using the R language to take the intersection for Venn analysis,imported the obtained target into Cytoscape 3.7.2 software,constructed the active ingredient target network,and imported it into the String database to construct the protein-protein interaction (PPI) network.And we used the Bisogenet plug-in in Cytoscape 3.7.2 to analyze the network topology.At the same time,we used the R language Bioconductor platform to perform GO analysis and KEGG analysis on the potential targets of Yiqi Zhuyu Decoction in the treatment of gastric cancer,and import the results into Cytoscape 3.7.2 software for drawing,and obtained the KEGG network relationship diagram.We used the molecular docking software Autodock vina to dock the core target with the active ingredient,and finally draw the picture with Plmoy.Results:A total of 216 chemical components and 1 105 disease targets were obtained,of which 38 were intersection targets.The key targets include IL-6,MMP9,PTGS2.GO function analysis was mainly related to the expression of lipopolysaccharide,oxidase reduction activity and so on.KEGG analysis showed that Yiqi Zhuyu Decoction treats gastric cancer mainly through IL-17,TNF,nuclear factor-κB,TLR and cancer-related signal pathways.The molecular docking results showed the best binding performance with MMP9.Conclusion:Yiqi Zhuyu Decoction treats gastric cancer through multiple components and multiple targets,laying a foundation for further research on its mechanism of action. |
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