| 陈秋岑,孙治中,吴伟,等.清热活血方治疗动脉粥样硬化分子机制的网络药理学分析[J].安徽医药,2023,27(3):606-610. |
| 清热活血方治疗动脉粥样硬化分子机制的网络药理学分析 |
| Network pharmacological analysis of the molecular mechanism of Qingre Huoxue recipe in the treatment of atherosclerosis |
| |
| DOI：10.3969/j.issn.1009-6469.2023.03.041 |
| 中文关键词: 中草药 动脉粥样硬化 一氧化氮合酶 清热活血方 网络药理学 分子对接 |
| 英文关键词: Drugs, Chinese herbal Atherosclerosis Nitric oxide synthase Qingre Huoxue recipe Network pharmacology Molecular docking |
| 基金项目:国家自然科学基金项目(82074356，81673923) |
|
| 摘要点击次数: 654 |
| 全文下载次数: 177 |
| 中文摘要: |
| 目的 通过网络药理学的方法探究清热活血方治疗动脉粥样硬化的分子机制。方法 2020年12月至2021年2月，通过BAT-MAN数据库获取中药的活性成分及对应的靶点，从Genecards数据库搜集动脉粥样硬化的相关靶点。取交集获取清热活血方治疗动脉粥样硬化的靶点，通过string数据库检索靶点之间的相互作用关系，在Cytoscape 6.1构建的蛋白-蛋白网络中筛选出核心节点，依据核心靶点反向找出对应的成分。通过DAVID网站获取核心节点的通路富集分析结果，使用Auto DockVina进行分子对接验证结果可信性。结果 得到蛋白激酶B1(AKT1)、白介素-6(IL-6)、肿瘤坏死因子(TNF)、载脂蛋白E1(APOE1)、转化生长因子-β1(TGF-β1)等核心靶点116个，对应丹参酮Ⅱ、丹参醌B、γ-谷甾醇、黄芩苷等活性成分107个，基因本体论(GO)分析的结果集中在平滑肌细胞增殖的积极调节、内皮细胞增殖的积极调节、炎症反应、一氧化氮合酶活性的积极调节、脂肪细胞分化的负调节、内皮细胞迁移的积极调节等方面，京都基因和基因组数据库(KEGG)的结果集中在TNF、PI3KAkt、MAPK、FoxO、VEGF等信号通路上。分子对接的结果提示50个对接结果中35个超过?5 kcal/mol提示结果可信度较高。结论 清热活血方通过抑制炎症反应及平滑肌增殖、调节脂质代谢减少泡沫细胞生成、促进一氧化氮生成保护内皮来治疗动脉粥样硬化。 |
| 英文摘要: |
| Objective To explore the molecular mechanism of Qingre Huoxue recipe in the treatment of atherosclerosis through the method of network pharmacology.Methods From December 2020 to February 2021, information of the active components and corre?sponding targets of Qingre Huoxue recipe were obtained through BAT-MAN database, and the related targets of atherosclerosis were col?lected from Genecards database. Shared targets were obtained for Qingre Huoxue recipe in the treatment of atherosclerosis, the interac?tion relationship between the targets was retrieved through the string database, the core nodes in the protein-protein network construct?ed by Cytoscape 6.1 were screened, and the corresponding components were determined in reverse according to the core targets. The path enrichment analysis results of the core nodes were obtained through David Network, and the molecular docking was carried out with Auto Dock Vina to verify the credibility of the results.Results Totally 116 core targets such as Protein kinase B1 (Akt1), interleu?kin-6 (IL-6), tumor necrosis factor (TNF), apolipoprotein E1 (APOE1) and transforming growth factor beta 1 (TGF-β1) were obtained, corresponding to 107 active components including tanshinone Ⅱ, tanshinone B, γ- sitosterol and baicalin. The results of gene ontology (GO) analysis focused on the positive regulation of smooth muscle cell proliferation, endothelial cell proliferation, inflammatory re?sponse, positive regulation of nitric oxide synthase activity, negative regulation of adipocyte differentiation and positive regulation of en?dothelial cell migration. The results of Kyoto Gene and Genome Database (KEGG) focused on TNF, PI3K-Akt, MAPK, FOXO VEGF and other signaling pathways. The results of molecular docking showed that 35 of the 50 docking results were more than ?5 kcal/mol,suggesting high reliability of the results.Conclusion The Qingre Huoxue recipe can treat atherosclerosis by inhibiting inflammatory reaction and smooth muscle proliferation, regulating lipid metabolism to reduce foam cell formation, and promoting NO production to protect endothelial cells. |
|
查看全文
查看/发表评论 下载PDF阅读器 |
| 关闭 |
|
|
|
