| 何树苗1，陈元堃1，曾 奥1，贺思晴1，李春梅1，林树真2，卢 群1*.基于网络药理学与分子对接技术预测艾叶抗动脉粥
样硬化的分子机制[J].海南师范大学学报自科版,2021,34(1):49-58 |
| 基于网络药理学与分子对接技术预测艾叶抗动脉粥
样硬化的分子机制 |
| Study on the Molecular Mechanism of Anti-atherosclerosis ofFolium Artemisia argyi Based on Network Pharmacology andMolecular Docking Technology |
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| DOI：10.12051/j.issn.1674-4942.2021.01.008 |
| 中文关键词: 艾叶 动脉粥样硬化 作用机制 网络药理学 分子对接 |
| 英文关键词: Folium Artemisia argyi atherosclerosis mechanism network pharmacology molecular docking |
| 基金项目:国家自然科学基金资助项目（81503282）；广东省科技计划项目（2014A020212309） |
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| 中文摘要: |
| 为探讨艾叶抗动脉粥样硬化的作用机制，运用网络药理学与分子对接方法，通过
PharmMapper、Swiss Target Prediction 平台预测艾叶有效成分及潜在靶标，检索 DisGeNET 和
Genecards数据库获取动脉粥样硬化相关靶点，利用STRING构建靶标PPI网络，利用Cytoscape软件
进行可视化分析，利用DAVID进行GO功能注释和KEGG通路富集分析，最后应用分子对接相关软
件对核心靶点与有效成分的结合情况进行对接验证。结果发现，共筛选出9个艾叶活性成分、274
个潜在的活性成分靶点、1 504个动脉粥样硬化相关靶点和120个成分靶点和疾病靶点的共同靶
点，提示艾叶可通过SRC、AKT1、VEGFA、HSP90AA1和RXRA等多靶点，PPAR、MAPK、Wnt、VEGF
等癌症通路和PIK3-Akt、Rapl、RAS、黏着连接等多个信号通路发挥抗动脉粥样硬化的作用，分子对
接验证结果显示主要活性成分与核心靶点亲和力良好。 |
| 英文摘要: |
| To explore the anti-atherosclerosis mechanism of Folium Artemisia argyi, Folium Artemisia argyi ingredients
and potential targets were predicted by network pharmacology and molecular docking methods through PharmMapper and
Swiss Target Prediction platforms. DisGeNET and Genecards databases were used to obtain atherosclerosis related targets.
STRING was used to construct target PPI networks. Cytoscape software was used for visual analysis. DAVID was used for
GO function annotation and KEGG pathway enrichment analysis. Molecular docking related software was applied to verify
the combination of core target and active ingredients. The results showed that 9 active ingredients, 274 potential targets for
Folium Artemisia argyi and 1 504 atherosclerosis-related targets were screened, 120 common targets were found. It re‐
vealed that Folium Artemisia argyi played an anti-atherosclerosis role through multi-targets such as SRC, AKT1, VEGFA,HSP90AA1 and RXRA, multi-signaling pathways such as cancer pathways, PIK3-Akt, Rapl, RAS and adhesion junctions
signaling pathways. Molecular docking results showed that key active ingredient of Folium Artemisia argyi had good affinity
with key targets. In conclusion, β-sitosterol may have a certain regulatory effect on atherosclerosis, and it is expected to be
a new potential drug for intervention in cardiovascular disease. |
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