【摘要】 目的：基于网络药理学与分子对接技术探讨葛断舒颈汤治疗神经根型颈椎病的潜在作用机制。方法：通过TCMSP、HERB及PubChem数据库获取葛断舒颈汤活性成分及相关靶点，并根据UniProt数据库将靶蛋白转换为Gene Symbol；通过GeneCards和OMIM数据库收集神经根型颈椎病有关靶基因。然后，运用Veen图筛选出葛断舒颈汤治疗神经根型颈椎病的共有靶点，并将其导入String数据库构建PPI网络分析图。最后，分别利用Cytoscape软件构建葛断舒颈汤与神经根型颈椎病有效成分-靶点网络图，Metascape数据库对共有靶蛋白进行GO及KEGG富集分析，AutoDock vina软件对关键活性成分与关键靶点进行分子对接。结果：共获得葛断舒颈汤药物有效活性成分273个，靶基因260个，神经根型颈椎病相关基因6854个，两者共有靶基因234个。药物与疾病成分-靶点网络图发现槲皮素、木樨草素、山奈酚、汉黄芩素、丹参酮ⅡA等是主要活性成分；PPI网络分析发现AKT1、ALB、MAPK3、IL6、VEGFA等可能是葛断舒颈汤治疗神经根型颈椎病的关键靶点；GO功能富集分析得到200个生物过程条目，97个分子功能条目，101个细胞组成条目。KEGG富集分析得到癌症通路、AGE-RAGE信号通路、前列腺癌、MAPK信号通路、铂耐药等204条信号通路。分子对接结果验证了该网络的可靠性，其中槲皮素、木犀草素、山奈酚、丹参酮ⅡA与ALB、MAPK3、JUN、EGFR具有较强的结合能力。结论：葛断舒颈汤通过槲皮素等关键成分激活AKT1、ALB等相关靶点，发挥了调节炎症、调节免疫、保护神经、抗氧化应激、抗细胞凋亡等作用来治疗神经根型颈椎病，但需要进一步的体内外实验加以验证。更多还原

【Abstract】 Objective:To explore the potential mechanism of intervention effect of Ge duan shu jing Decoction on cervical spondylotic radiculopathy based on network pharmacology and molecular docking.Methods:The active ingredients and related targets of Ge duan shu jing Decoction were obtained by TCMSP、HERB and PubChem,and the target protein names were converted into Gene Symbol by UniProt database;the target genes of cervical spondylotic radiculopathy were collected by GeneCards and OMIM database. Then,the common targets of Ge duan shu jing Decoction in the treatment of cervical spondylotic radiculopathy were screened by using Veen diagram and imported into String database to construct PPI network analysis map. Finally,the active ingredient-target network of Ge duan shu jing Decoction and cervical spondylotic radiculopathy was constructed by using Cytoscape software. The common target proteins were analyzed by GO and KEGG enrichment using Metascape database. The key active components and key targets were docked blindly by AutoDock vina software.Results:A total of 273 active ingredients and 260 target genes of Ge duan shu jing Decoction and 6854 genes related to cervical spondylotic radiculopathy were obtained,with 234 common target genes.Drug and disease ingredient-target network map showed that quercetin,luteolin,kaempferol,wogonin and tanshinone iia were the main active ingredients. The PPI network analysis found that AKT1,ALB,MAPK3,IL6 and VEGFA might be the key targets of Ge duan shu jing Decoction in the treatment of cervical spondylotic radiculopathy. GO enrichment analysis obtained 200 biological process items,97 molecular items and 101 cell component items. KEGG enrichment analysis obtained 204 signaling pathways including Pathways in cancer,AGE-RAGE signaling pathway in diabetic complications,Prostate cancer,MAPK signaling pathway,Platinum drug resistanceand so on. The results of molecular docking verify the reliability of the network and show that quercetin,luteolin,kaempferol and tanshinone iia have strong binding ability with ALB,MAPK3,JUN and EGFR. Conclusion:Ge duan shu jing Decoction may activate AKT1,ALB and other related targets through key components such as quercetin,exerting effects on regulating inflammation,immune regulation,nerve protection,antioxidant stress,and anti apoptosis to treat cervical spondylotic radiculopathy. However,further in vitro and in vivo experiments are needed to confirm this.更多还原