目的 基于网络药理学、分子对接验证补阳还五汤治疗脊髓损伤的作用机制.方法 通过 TCMSP、SymMap、PubChem、Swiss Target Prediction数据库筛选补阳还五汤的活性成分和靶点.从OMIM、GeneCards、TTD、DrugBank数据库检索脊髓损伤的靶点.通过venny软件获取补阳还五汤与脊髓损伤的交集靶点.用Cytoscape软件构建补阳还五汤治疗脊髓损伤的活性成分-靶点网络.通过DAVID数据库对共同靶点进行基因本体论和京都基因与基因组百科全书富集分析,分子对接技术分析药物与靶点的结合能力.结果 共得到补阳还五汤中活性成分 106 个,作用靶点 225 个,脊髓损伤靶点 1315 个,药物-疾病交集靶点 112 个.补阳还五汤主要通过槲皮素、山柰酚、鞣花酸、木樨草素、常春藤皂苷元等药物活性成分治疗脊髓损伤.结论 补阳还五汤可通过多种信号通路达到治疗脊髓损伤的目的.
Objective To verify the mechanism of Buyang Huanwu decoction in the treatment of spinal cord injury based on network pharmacology and molecular docking.Methods The active ingredients and targets of Buyang Huanwu decoction were screened out by TCMSP,SymMap,PubChem and Swiss Target Prediction databases.Spinal cord injury targets were retrieved from OMIM,GeneCards,TTD,and DrugBank databases.Through venny software,the intersection target of Buyang Huanwu decoction and spinal cord injury was obtained.The active ingredient-target network for the treatment of spinal cord injury was constructed with Cytoscape software.Gene ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis of common targets were carried out by DAVID,and the binding ability of drugs and targets was analyzed by molecular docking technology.Results A total of 106 active ingredients and 225 targets of Buyang Huanwu decoction,1315 targets of spinal cord injury and 112 targets of drug-disease intersection were obtained.The active ingredients of Buyang Huanwu decoction were quercetin,kaempferol,ellagic acid,luteolin and hederagenin in the treatment of spinal cord injury.Conclusion Buyang Huanwu decoction can achieve the purpose of treating spinal cord injury through various signal pathways.
钟木森;安忠诚;樊光亚;暴纪谦;苏文硕;董黎强
浙江中医药大学第二临床医学院,浙江杭州 310053浙江中医药大学附属第二医院骨科,浙江杭州 310005
临床医学
补阳还五汤;脊髓损伤;网络药理学;作用机制;分子对接
Buyang Huanwu decoction;Spinal cord injury;Network pharmacology;Mechanism of action;Molecular docking
《中国现代医生》 2024 (001)
63-69 / 7
浙江省中医药科技计划项目(2021ZA075)
10.3969/j.issn.1673-9701.2024.01.016
评论