基于网络药理学及分子对接技术探讨泽泻治疗动脉粥样硬化作用机制
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R285

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国家自然科学基金面上项目(81973681)


Study on the Mechanism of Alismatis Rhizoma in Treating Atherosclerosis Based on Network Pharmacology and Molecular Docking Technology
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    摘要:

    目的:利用网络药理学及分子对接技术探讨泽泻治疗动脉粥样硬化的作用机制。方法:通过中药 系统药理学数据库与分析平台(TCMSP)、Swiss Target Prediction 数据库筛选泽泻的活性成分及相关靶点。利 用Gene Cards、OMIM、TTD 等数据库检索动脉粥样硬化疾病相关靶点,最后得到泽泻与动脉粥样硬化的共同 靶点,并进行GO 生物进程及KEGG 通路富集分析,应用AutoDock Vina 软件进行分子对接验证。结果:泽泻 的10 个主要活性成分和327 个潜在靶点,可能通过调节磷脂酰肌醇-3-激酶(PI3K)、白细胞介素(IL)、表皮 生长因子等相关蛋白及PI3K-Akt、IL-17、AGE-RAGE 等信号通路影响脂质代谢、类固醇代谢、炎症反应, 分子对接验证结果提示泽泻醇B、泽泻醇C、泽泻醇A 与核心靶点蛋白结合活性更显著。结论:泽泻通过调节 脂质代谢、抗炎、抗氧化应激、调节内皮功能等反应发挥抗动脉粥样硬化的作用,为临床应用提供了药理 依据。

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    Abstract: Objective: To explore the mechanism of Alismatis Rhizoma in treating atherosclerosis by network pharmacology and molecular docking technology. Methods: The active components and related targets of Alismatis Rhizoma were screened through Traditional Chinese Medicine systematic pharmacology database and analysis platform (TCMSP) and Swiss Target Prediction database. Use Gene Cards,OMIM, TTD and other databases to search for atherosclerotic disease related targets, finally get the common target of Alismatis Rhizoma and atherosclerosis, and carry out GO biological process and KEGG pathway enrichment analysis , and use AutoDock Vina software for molecular docking verification. Results : The 10 main active components and 327 potential targets of Alismatis Rhizoma may affect lipid metabolism, steroid metabolism and inflammatory response by regulating phosphatidylinositol- 3- kinase (PI3K), interleukin(IL), epidermal growth factor and other related proteins as well as PI3K- Akt, IL- 17, AGE-RAGE and other signal pathways. The results of molecular docking verification suggest that Alismatrol B, Alismatrol C, and Alismatrol A plus core targets have more significant protein binding activity. Conclusion: Alismatis Rhizoma plays an anti- atherosclerotic role by regulating lipid metabolism, antiinflammation, anti- oxidative stress,and regulating endothelial function,providing pharmacological basis for clinical application.

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邓艳萍,金沐阳,张露,史胜楠,王培利.基于网络药理学及分子对接技术探讨泽泻治疗动脉粥样硬化作用机制[J].新中医,2023,55(7):21-27

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  • 在线发布日期: 2023-04-12
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