首页|基于网络药理学与分子对接技术探究独活寄生汤治疗神经根型颈椎病的作用机制

基于网络药理学与分子对接技术探究独活寄生汤治疗神经根型颈椎病的作用机制

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目的:运用网络药理学和分子对接技术研究独活寄生汤治疗神经根型颈椎病的作用机制.方法:通过中药系统药理学数据库与分析平台(TCMSP)筛选独活寄生汤的活性成分及其靶点,利用GeneCards、OMIM和DisGeNET数据库筛选与神经根型颈椎病相关的疾病靶点.通过对这些靶点进行映射,得到潜在的治疗靶点.使用STRING数据库进行蛋白质相互作用分析,并利用Cytoscape软件绘制蛋白质-蛋白质相互作用网络图.利用微生信进行基因本体论(GO)和京都基因与基因组百科全书(KEGG)富集分析,以深入了解潜在治疗靶点的功能和通路.最后,使用Autodock软件对活性成分进行分子对接验证,以评估其与目标蛋白的结合亲和力.结果:独活寄生汤含有129种活性成分,与神经根型颈椎病相关的交集靶点有285个.通过蛋白质-蛋白质相互作用网络分析筛选出治疗神经根型颈椎病的关键靶点为丝氨酸/苏氨酸蛋白激酶1、肿瘤坏死因子、核因子-κB亚基1.GO功能和KEGG通路分析显示,关键靶点涉及磷脂酰肌醇3激酶-蛋白激酶B信号通路、细胞凋亡和细胞增殖的调节.结论:独活寄生汤可能通过抑制炎症、促进细胞存活等方式改善神经根型颈椎病症状,为临床应用和未来治疗该疾病提供新思路.
The action mechanism of the Duhuo Jizhi decoction in treating cervical spondylotic radiculopathy based on network pharmacology and molecular docking technology
Objective:To elucidate the therapeutic mechanism of the Duhuo Jisheng decoction(独活寄生汤)in treating cervical spondylotic radiculopathy(CSR)through the network pharmacology and molecular docking methodology.Methods:Active constituents and targets of the Duhuo Jisheng decoction were identified from the TCMSP database,while targets associated with CSR were screened out from GeneCards,OMIM,and DisGeNET databases.Through target mapping,potential therapeutic targets were delineated.The protein-protein interaction analysis was conducted by STRING database,and the protein-protein interaction network was constructed by Cytoscape software.Bioinformatics tools were utilized to perform GO and KEGG enrichment analyses,offering insights into the functions and pathways of prospective therapeutic targets.Molecular docking validation of active constituents was carried out by Autodock software to assess their binding affinity with target proteins.Results:The Duhuo Jisheng decoction comprised 129 active constituents,with 285 intersecting targets linked to CSR.The protein-protein interaction network analysis identified AKT1,TNF,and NFKB1 as pivotal targets in the treatment of CSR.The GO function and KEGG pathway analyses unveiled that the key targets involved PI3K-Akt signaling pathway,the regulation of apoptosis and cell proliferation and so on.Conclusion:The findings suggest that the Duhuo Jisheng decoction holds potential in ameliorating CSR symptoms by modulating inflammation and promoting cellular survival,thus furnishing theoretical underpinning for its clinical utility and paving the way for novel therapeutic approaches in managing the condition.

The Duhuo Jisheng decoctionCervical spondylotic radiculopathyNetwork pharmacologyMolecular dockingAction mechanism

张润东、刘宜杭、杨珊茹、梁舒、李阳、孙河龙、刘超、刘洪峰

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河南中医药大学,河南 郑州,450046

郑州市金水区总医院,河南 郑州,450000

独活寄生汤 神经根型颈椎病 网络药理学 分子对接 作用机制

2024

中医临床研究
中华中医药学会

中医临床研究

影响因子:0.839
ISSN:1674-7860
年,卷(期):2024.16(29)