基于GC-MS和网络药理学对五种柴胡挥发油的比较研究
投稿时间:2024-02-26  修订日期:2024-03-12   点此下载全文
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马玉芝 MA Yu-zhi 中国医学科学院药用植物研究所 Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences and Peking Union Medical College coo_myz@163.com 
曾铁鑫 ZENG Tie-xin 中国医学科学院药用植物研究所 Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences and Peking Union Medical College 631526803@qq.com 
吴佩玲 WU Pei-ling 中国医学科学院药用植物研究所 Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences and Peking Union Medical College plwu1996@163.com 
郭欣慰 GUO Xin-wei 中国医学科学院药用植物研究所 Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences and Peking Union Medical College gwgwbty@126.com 
刘海波 LIU Hai-bo 中国医学科学院药用植物研究所 Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences and Peking Union Medical College hbliu@implad.ac.cn 
许利嘉* XU Li-jia 中国医学科学院药用植物研究所 Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences and Peking Union Medical College xulijia@hotmail.com 
魏建和 WEI Jian-he 中国医学科学院药用植物研究所 Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences and Peking Union Medical College wjianh@263.net 
基金项目:中国医学科学院医学与健康科技创新工程
中文摘要:目的:基于气相色谱-质谱法(GC-MS)和网络药理学对五种柴胡(柴胡Bupleurum chinense DC.、狭叶柴胡Bupleurum scorzonerifolium Willd.、窄竹叶柴胡Bupleurum marginatum var. stenophyllum (Wolff) Shan et Y.Li、竹叶柴胡Bupleurum marginatum Wall. ex DC.和黑柴胡Bupleurum smithii Wolff)干燥根的挥发油成分及潜在药理活性进行比较研究。方法:采用水蒸气蒸馏法提取五种柴胡根中的挥发油,使用GC-MS对挥发油成分定性分析,构建“成分-靶点”网络并进行KEGG富集分析。结果:共鉴定到55个柴胡挥发油化合物,发现五种柴胡挥发油化合物组成有一定差异;网络药理学结果显示五种柴胡挥发油具有相似的作用靶点,如NFKB1、PIK3R1、PIK3CD以及NOS2等,其中共有的核心靶点作用于神经活性配体-受体相互作用、中性粒细胞胞外诱捕网形成作用、鞘脂信号通路以及小细胞肺癌等信号通路。结论:五种柴胡挥发油在抗感染、抗炎、神经保护以及抗肿瘤方面具有相互替代的潜力。
中文关键词:柴胡  挥发油  气相色谱-质谱联用  网络药理学  分子对接
 
Comparison of Volatile Oil Components in Roots of Five Radix Bupleuri Based on GC-MS and Network Pharmacology
Abstract:Objective: To compare the volatile oil components and pharmacological activities of five kinds of dried roots of Bupleurum (Bupleurum chinense DC., Bupleurum scorzonerifolium Willd., Bupleurum marginatum var. stenophyllum (Wolff) Shan et Y.Li, Bupleurum marginatum Wall. ex DC., Bupleurum smithii Wolff) based on gas chromatography-mass spectrometry (GC-MS) and network pharmacology. Methods: The volatile oil in the roots of five kinds of Radix Bupleuri was extracted by steam distillation. The components in the volatile oil were analyzed by GC-MS. The "component-target" networks were constructed and KEGG enrichment analysis was carried out. Results: A total of 55 volatile oil compounds of Radix Bupleuri were identified. There are some differences in the composition of volatile oils from five kinds of Radix Bupleuri. The results of network pharmacology showed that five kinds of Radix Bupleuri volatile oils had similar targets (NFKB1, PIK3R1, PIK3CD, NOS2, etc.)., such as NFKB1, PIK3R1, PIK3CD, NOS2 et al. And their common core target acts on neuroactive ligand-receptor interaction, neutrophil extracellular trap formation, sphingolipid signaling pathway, small cell lung cancer and et al. Conclusion: The five kinds of volatile oils of Radix Bupleuri have the potential to substitute each other in anti-infection, anti-inflammation, neuroprotection and anti-tumor.
keywords:Radix Bupleuri  volatile oil  GC-MS  network pharmacology  molecular docking
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