【摘要】 目的:联合网络药理学和分子对接技术探究黄芪-当归治疗脊髓损伤的机制。方法:通过中药系统药理数据库和分析平台查找黄芪-当归的活性成分,利用Swiss Target Prediction、TCMSP数据库筛选成分对应的靶点;采用Gene Oards和OMM数据库查找脊髓损伤相关靶点;运用软件venny2.1取两者交集,得到治疗SCI的潜在靶点。利用Cytoscape构建“药物-成分-靶点-疾病”网络;运用STRING数据库建立蛋白质互作网络,并通过Cytoscape-CytoNCA筛选核心靶点。通过Metascape平台对靶基因进行GO和KEGG信号通路分析,最后运用AutoDockVina验证关键活性成分与核心靶点间的结合能力。结果:共得到黄芪-当归药对22个活性成分,219个脊髓损伤相关靶点。分子网络显示华良姜素(Jaranol)、槲皮素(quercetin)、7-0-methylisomucronulatol、3,9-di-O-methylnissolin、白桦脂酸(Mairin)、山奈酚(kaempferol)等是主要的活性成分,TP53、AKT1、ESR1、SRC、JUN、EGFR等为核心靶点,黄芩-当归可能通过PI3K-Akt信号通路、JAK-STAT信号通路及细胞凋亡等相关信号通路,参与调控蛋白激酶活性、转录因子结合等生物学途径发挥治疗SCI的作用。结论:黄芪-当归可能通过调控SCI后的细胞凋亡等相关途径发挥治疗脊髓损伤的作用。更多还原

【Abstract】 Objective:To investigate the mechanism of Astragalus(Huangqi)-Adangelicae(Danggui) in the treatment of spinal cord injury(SCI) by network pharmacology and molecular docking techniques.Methods:The active ingredients of Astragalus-Adangelicae were identified through TCMSP database,and the targets corresponding to the ingredients were screened by Swiss Target Prediction and TCMSP database;the targets related to spinal cord injury were identified by GeneCards and OMIM database;the software venny 2.1 was used to obtain the intersection of the two,and the potential targets for the treatment of SCI were obtained.We used Cytoscape to build a "drug-component-target-disease" network;used STRING database to build a protein interaction(PPI) network,and used Cytoscape-CytoNCA to screen the core targets.We performed GO and KEGG signaling pathway analysis of target genes through Metascape platform.Molecular docking operations were performed using AutoDock Vina software.Results:A total of 22 active ingredients and 219 spinal cord injury-related targets were obtained for the Astragalus-Adangelicae drug pair.The molecular network showed that Jaranol,quercetin,7-O-methylisomucronulatol,3,9-di-O-methylnissolin,Mairin and kaempferol were the main active ingredients,which may play a role in the treatment of S CI through TP53,AKT1,ESR1,SRC,JUN,EGFR and other targets via PI3K-Akt signaling pathway,JAK-STAT signaling pathway,apoptosis and other related signaling pathways,and participate in the regulation of protein kinase activity,transcription factor binding and other biological pathways.Conclusion:Astragalus-Angelica may play a role in treating of spinal cord injury by regulating apoptosis and other related pathways after SCI,which provides a reference for further re search and clinical application.更多还原