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采用常规水蒸汽蒸馏法提取柴胡挥发油，并运用气相色谱-质谱联用(GC-MS)分析技术检测柴胡挥发油的主要成分，研究柴胡挥发油抗炎作用的主要活性成分、作用靶点及作用机制。通过UniProt数据库筛选出柴胡挥发油主要成分作用靶点；采用GeneCards、Online Mendelian Inheritance in Man数据库筛选出炎症疾病作用靶点，并与成分作用靶点进行交集；运用STRING平台构建靶点蛋白相互作用(PPI)网络；采用Metascape平台对靶点进行Kyoto Encyclopedia of Genes and Genomes(KEGG)、Gene Ontology(GO)富集分析，并借助KEGG数据库对靶点进行通路富集分析。利用Cytoscape 3.7.1软件构建成分-靶点-通路网络图。结果显示，从柴胡挥发油中筛选出13个潜在活性成分，筛选得到66个靶标。主要活性成分为棕榈酸、壬醛、1-甲基-4-(1-甲基乙烯基)苯、(E)-壬烯醛、E-2-辛烯醛等；核心靶点为RELA、MAPK1、TNF、PTGS2、IKBKB等。通过GC-MS技术结合网络药理学方法，有助于阐明柴胡挥发油抗炎潜在有效成分和作用机制。
Abstract：The main active ingredients, targets, and mechanisms of anti-inflammatory effects of Bupleuri Radix volatile oil were studied.The volatile oil of Bupleuri Radix was extracted using conventional steam distillation method.And the main components of Bupleuri Radix volatile oil were detected using GC-MS technology.The targets of the main components of Bupleuri Radix volatile oil were screened through the UniProt database.GeneCards and OMIM databases were used to screen inflammatory disease targets, which were intersected with component targets.A target protein interaction(PPI) network was constructed using the STRING platform.And the Metascape platform was applied for KEGG and GO enrichment analysis of targets.The KEGG database was used for pathway enrichment analysis of targets.A component-target-pathway network diagram was constructed using Cytoscape 3.7.1 software.Thirteen potential active ingredients were screened from the volatile oil of Bupleuri Radix,and 66 targets were identified.The main active ingredients are palmitic acid, nonanal, 1-methyl-4-(1-methylvinyl) benzene,(E)-nonanal, E-2-octenal, heptanal, etc.The core targets are RELA,MAPK1,TNF,PTGS2,IKBKB,etc.The combination of GC-MS technology and network pharmacology methods can help elucidate the potential anti-inflammatory active ingredients and mechanisms of action of Bupleuri Radix volatile oil.
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基本信息:
DOI：10.13526/j.issn.1006-6144.2024.12023
中图分类号:R285;O657.63
引用信息:
[1]杨晓明,田一文,徐旺,等.基于气相色谱-质谱联用结合网络药理学探究柴胡挥发油抗炎作用机制[J].分析科学学报,2025,41(05):507-515.DOI:10.13526/j.issn.1006-6144.2024.12023.
基金信息:
江苏省六大人才高峰项目(SWYY-108)