首页|基于网络药理学和分子对接研究车前子-赤芍对治疗青光眼的作用机制

基于网络药理学和分子对接研究车前子-赤芍对治疗青光眼的作用机制

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目的 采用网络药理学和分子对接技术探讨车前子-赤芍对治疗青光眼的作用机制.方法 通过TCMSP、Gene Cards等数据库收集车前子、赤芍的有效活性成分靶点及青光眼相关靶点.利用STRING数据库和Cytoscape软件构建蛋白质互作网络图,绘制药物-活性成分-靶点-疾病可视化网络图.利用DAVID数据库进行GO功能富集分析和KEGG通路富集分析.PyMolWin软件进行分子对接.结果 获得药对与青光眼疾病交集靶点75 个.核心靶点为AKT1、CASP3 和TP53.GO功能富集分析得到了232 条信息,KEGG通路富集分析确定了207条相关通路.分子对接结果显示,关键靶点与药物有效活性成分结合构象稳定.结论 车前子-赤芍药对可能作用于AKT1、CASP3 和TP53 等靶点,通过PI3K-Akt信号通路、神经营养因子信号通路等相关通路,从而达到调节眼压和保护视神经的作用.
The Mechanism of Psyllium-red Peony Root in the Treatment of Glaucoma Was Studied Based on Network Pharmacology and Molecular Docking
Objective To explore the mechanism of plantagus-red Peony root in the treatment of glaucoma by network pharmacology and molecular docking technology.Methods The active ingredient targets of Plantagina plantagina and red Pe-ony root and glaucoma related targets were collected through TCMSP,Gene Cards and other databases.The STRING database and Cytoscape software were used to construct the protein interaction network diagram,and the visual network diagram of drug-active ingredient-target-disease was drawn.The DAVID database was used for GO functional enrichment analysis and KEGG pathway enrichment analysis.PyMolWin software was used for molecular docking.Results A total of 75 intersection targets between drug pair and glaucoma disease were obtained.The core targets were AKT1,CASP3 and TP53.GO functional enrichment analysis obtained 232 information,and KEGG pathway enrichment analysis identified 207 related pathways.Molec-ular docking results showed that the key targets were in stable conformation with the active ingredients of the drug.Conclu-sion The Plantagina Rpeony drug pair may act on AKT1,CASP3,TP53 and other targets,through PI3K-Akt signaling path-way,neurotrophic factor signaling pathway and other related pathways,thereby regulating intraocular pressure and protecting the optic nerve.

Psyllium-Red Peony pairGlaucomaNetwork pharmacologyMolecular docking

陆海、项晨跃、马一平

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天津市眼科医院药剂科,天津 300120

天津医科大学临床医学院药学系,天津 300131

车前子-赤芍对 青光眼 网络药理学 分子对接

天津市眼科医院科技基金资助项目

YKZD2005

2024

哈尔滨医药
哈尔滨市医学会

哈尔滨医药

影响因子:0.697
ISSN:1001-8131
年,卷(期):2024.44(2)
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