| 张靖鹏.基于网络药理-分子对接-体外抗氧化探究沙棘防治高血压的作用机制[J].实用中西医结合临床,2024,24(15): |
| 基于网络药理-分子对接-体外抗氧化探究沙棘防治高血压的作用机制 |
| Exploring the mechanism of Seabuckthorn in preventing and treating Hypertension based on network pharmacology, molecular docking, and antioxidation in vitro |
| 投稿时间：2024-04-19 修订日期：2024-05-14 |
| DOI： |
| 中文关键词: 沙棘 高血压 网络药理学 分子对接 体外抗氧化 |
| 英文关键词: Seabuckthorn, Hypertension, Network pharmacology, Molecular docking, In vitro antioxidant |
| 基金项目:地区科学基金项目（编号：82260643） |
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| 摘要点击次数: 20 |
| 全文下载次数: 9 |
| 中文摘要: |
| 目的：采用网络药理学、分子对接及体外抗氧化试验方法探究沙棘防治高血压（Hypertension）的主要药效成分、作用机制，为进一步探究沙棘防治高血压的药效物质基础提供理论参考。方法：以中药沙棘、疾病高血压为研究对象，通过中药系统药理学数据库与分析平台（TCMSP）数据库筛选药物活性成分及靶点，以Gene Cards、NCBI、OMIM及Uniprot数据库获取疾病靶点，并利用Cystoscape 3.8.0软件构建活性成分-靶点-疾病网络，使用Sting数据库绘制靶点蛋白质互作网络（PPI网络），采用R 3.6.3软件对关键靶点进行基因本体（GO）及基因功能分析（KEGG），再通过筛选度值较高的潜在靶点与沙棘活性成分进行分子对接，后对不同沙棘提取物进行体外抗氧化实验验证。结果：共获得18个活性化合物；得到疾病相关关键基因为白细胞介素-6（IL-6）、白蛋白（ALB）、丝氨酸/苏氨酸激酶（AKT1）、血管内皮生长因子A（VEGFA）等，其功能多与凋亡与炎症因子、脂质代谢、细胞生长及诱导氧化应激有关；GO及KEGG分析主要涉及诱导氧化应激反应、排钠作用等；分子对接显示IL-6、ALB、AKT1和VEGFA四个靶点均能与活性成分自发结合并形成稳定构象；体外抗氧化实验表明富含维生素C、甾醇类及黄酮类的沙棘提取物均具备较强的自由基清除能力及还原能力。结论：沙棘防治高血压具有多成分、多靶点、多通路的潜在作用机制，其富含相关活性化合物的提取物均具有较高的自由基清除及还原能力，其可能通过调节IL-6、ALB、AKT1、VEGFA等相关蛋白靶点的表达，调控相关信号通路，从而发挥降低血脂、调理血脂作用。 |
| 英文摘要: |
| Objective: To explore the main pharmacological components and mechanisms of Seabuckthorn in the prevention and treatment of Hypertension by using network pharmacology, molecular docking, and in vitro antioxidant tests, and to provide theoretical reference for further exploring the material basis of Seabuckthorn in the prevention and treatment of Hypertension. Methods: Taking traditional Chinese medicine Seabuckthorn and Hypertension as research objects, active ingredients and targets were screened through TCMSP database, disease targets were obtained through Gene Cards, NCBI, OMIM, and Uniprot databases, and active ingredient target disease networks were constructed using Cystoscape 3.8.0 software. Target PPI networks were drawn using String database, and key targets were analyzed for GO and KEGG using R3.6.3 software, After molecular docking with the active components of Seabuckthorn through screening potential targets with high degree values, antioxidant experiments were conducted on different Seabuckthorn extracts in vitro to verify their antioxidant activity. Results: A total of 18 active compounds were obtained; The key genes related to diseases are IL-6, ALB, AKT1, VEGFA, etc. Their functions are mostly related to apoptosis, inflammatory factors, lipid metabolism, cell growth, and the induction of oxidative stress; GO and KEGG analysis mainly involves inducing oxidative stress reactions, sodium excretion, etc; molecular docking showed that the four targets of IL-6, ALB, AKT1, and VEGFA could spontaneously combine with the active components to form stable conformations; In vitro antioxidant experiments have shown that seabuckthorn extracts rich in vitamin C, sterols, and flavonoids have strong free radical scavenging and reducing abilities. Conclusion: Seabuckthorn has a potential mechanism of action with multiple components, multiple targets, and multiple pathways in the prevention and treatment of hypertension. Its extracts rich in related active compounds have high free radical scavenging and reducing abilities, which may regulate the expression of related protein targets such as IL-6, ALB, AKT1, and VEGFA, and regulate related signal pathways, thereby playing a role in reducing blood lipids and regulating blood lipids.
Key words: Seabuckthorn, Hypertension, Network pharmacology, Molecular docking, In vitro antioxidant |
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