首页|基于网络药理学和分子对接探讨壮骨强筋片治疗老年性骨质疏松症的作用机制

基于网络药理学和分子对接探讨壮骨强筋片治疗老年性骨质疏松症的作用机制

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目的 运用网络药理学结合分子对接技术探讨壮骨强筋片治疗老年性骨质疏松症(SOP)的物质基础及作用机制。方法 通过TCMSP、HERB、PubChem、SwissTargetPrediction和UniProt数据库筛选壮骨强筋片组方药物的活性成分及作用靶点;检索DisGeNet、GeneCards、OMIM数据库获得SOP相关靶点;采用Cytoscape3。8。0构建"疾病-药物-成分-交集靶点"网络;利用STRING和Cytoscape3。8。0构建蛋白质-蛋白质相互作用网络;利用R4。2。0进行GO功能及KEGG通路富集分析;选取度值较高的核心成分与核心靶点进行分子对接。结果 获得壮骨强筋片作用靶点270个,SOP相关靶点433个,药物与SOP交集靶点61个;核心成分主要有槲皮素、木犀草素和山柰酚等,核心靶点有TNF、IL6、AKT1、VEGFA等。GO生物过程主要涉及氧化应激反应、生殖结构发育、生殖系统发育等,KEGG通路主要富集于糖尿病并发症相关的AGE-RAGE信号通路、脂质和动脉粥样硬化、流体剪切应力和动脉粥样硬化等。结论 壮骨强筋片可能通过作用于TNF、IL6、AKT1、VEGFA等靶点,调节免疫与细胞代谢,发挥治疗SOP的作用。
Exploration on the Mechanism of Zhuanggu Qiangjin Tablets in the Treatment of Senile Osteoporosis Based on Network Pharmacology and Molecular Docking Technology
Objective To explore the effective components and mechanism of Zhuanggu Qiangjin Tablets in the treatment of senile osteoporosis(SOP)by means of network pharmacology and molecular docking technology.Methods The active components and targets of Zhuanggu Qiangjin Tablets were screened by TCMSP,HERB,PubChem,SwissTargetPrediction and UniProt database;the related targets of SOP were obtained from DisGeNet,GeneCards and OMIM databases.Cytoscape 3.8.0 was used to construct the"disease-drug-component-intersection target"network.PPI network was constructed using STRING and Cytoscape 3.8.0.After that,R 4.2.0 was used for GO functional enrichment analysis and KEGG pathway enrichment analysis.Finally,the core active components with high moderate value was molecule-docked with the core targets.Results A total of 270 Zhuanggu Qiangjin Tablets related targets were obtained,433 SOP related targets and 61 drug SOP intersection targets were obtained;the core components primarily included quercetin,luteolin,and kaempferol,while the core targets involved TNF,IL6,AKT1,and VEGFA.GO biological processes mainly encompassed oxidative stress response,reproductive structure development,and reproductive system development.The enriched KEGG pathways were primarily associated with AGE-RAGE signaling pathway in diabetic complications,lipid and atherosclerosis,and fluid shear stress and atherosclerosis.Conclusion Zhuanggu Qiangjin Tablets may exert therapeutic effects on SOP by acting on targets such as TNF,IL6,AKT1,and VEGFA,thereby regulating immune response and cellular metabolism.

Zhuanggu Qiangjin Tabletssenile osteoporosisnetwork pharmacologymolecular docking

邬裕、周泽霖、欧阳帅、陈松海、叶林强、张志刚、王志强、卢国樑

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广州中医药大学东莞医院,广东 东莞 523000

广州中医药大学第一临床医学院,广东 广州 510405

壮骨强筋片 老年性骨质疏松症 网络药理学 分子对接

广东省东莞市名中医药专家传承工作室建设项目(2019年)

2024

中国中医药图书情报杂志
中国中医科学院中医药信息研究所

中国中医药图书情报杂志

影响因子:0.556
ISSN:2095-5707
年,卷(期):2024.48(1)
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