GC-MS结合网络药理学探讨毡毛马兰挥发油对免疫性肝损伤的作用机制  

Exploring the Action Mechanism of Volatile Oil of K.shimadae against Immunological Liver Injury by GC-MS Combined with Network Pharmacology

作　　者：隋静怡 黄宇飞 周文双 郁阳 刘劲松 韩光磊[3] 王国凯 孙云鹏 Sui Jingyi;Huang Yufei;Zhou Wenshuang;Yu Yang;Liu Jinsong;Han Guanglei;Wang Guokai;Sun Yunpeng(Key Laboratory for Functional Substances in Chinese Medicine,School of Pharmacy,Anhui University of Chinese Medicine,Hefei 230012,China;Anhui Province Key Laboratory of Bioactive Natural Products,Hefei 230012,China;The First Affiliated Hospital of Anhui University of Chinese Medicine,Hefei 230031,China)

机构地区：[1]安徽中医药大学药学院中药功效物质组分重点实验室,合肥230012 [2]安徽省活性天然产物重点实验室,合肥230012 [3]安徽中医药大学第一附属医院,合肥230031

出　　处：《中国药事》2025年第2期198-215,共18页Chinese Pharmaceutical Affairs

基　　金：国家自然科学基金(编号32400324);安徽省高等学校科学研究重点项目(编号2022AH050489);安徽省高校学科(专业)带头人培育项目(编号DTR2023026);中药研究与开发安徽省重点实验室开放课题(编号AKLPDCM202305)。

摘　　要：目的:明确毡毛马兰挥发油的活性成分,并进一步探讨毡毛马兰挥发油对免疫性肝损伤的潜在作用机制。方法:采用水蒸气蒸馏法分别提取毡毛马兰地上部分以及根部挥发油,用Griess试剂法检测抗炎活性;用气相色谱-质谱联用(GC-MS)分析毡毛马兰挥发油的组成成分,再通过网络药理学探究毡毛马兰挥发油对免疫性肝损伤的保护机制。结果:毡毛马兰挥发油在体外实验中显示出了一定的抗炎活性。对毡毛马兰挥发油进行成分分析,发现地上部分挥发油中含90种成分,根部挥发油含有65种成分,其中共有成分23种。将分析出的化学成分进行网络药理学分析,其发挥治疗免疫性肝损伤作用的“成分-靶点-信号通路-疾病”网络包含18个活性成分和265个药物靶点。通路富集分析得到159条信号通路。分子对接结果表明3,7,11-三甲基-1,6,10-十二烷三烯-3-醇乙酸酯、美雄酮、2-甲氧基-4-丙基-苯酚等成分可能与核心靶点AKT1、IL-6、EGFR、SRC、VEGFA等具有较好的结合能力,初步验证了网络药理学预测结果的准确性。结论:毡毛马兰挥发油可能通过多成分、多靶点、多通路协同发挥对免疫性肝损伤的保护作用。Objective:To identify the active components of the volatile oil of K.shimadae and further explore its potential mechanisms of action against immunological liver injury.Methods:The volatile oils from the aerial parts and roots of K.shimadae were extracted using steam distillation.The anti-inflammatory activity was assessed using the Griess reagent method.Gaschromatography-mass spectrometry(GC-MS)was employed to analyze the composition of the volatile oils,followed by network pharmacology to investigate the protective mechanisms of the volatile oil against immunological liver injury.Results:The volatile oil of K.shimadae has shown certain anti-inflammatory activity in the in vitro experiments.GC-MS analysis identified 90 components in the volatile oil from the aerial parts and 65 components from the roots,with 23 components shared between them.Network pharmacological analysis revealed a“component-targetsignal pathway-disease”network for the volatile oil’s treatment of immunological liver injury,including 18 active components and 265 drug targets.Pathway enrichment analysis identified 159 signal pathways.Molecular docking results indicated that components such as 3,7,11-trimethyl-1,6,10-dodecatriene-3-yl acetate,methandienone,and 2-methoxy-4-propylphenol have good binding affinity with core targets including AKT1,IL-6,EGFR,SRC,and VEGFA.Conclusion:The volatile oil of K.shimadae may synergistically exert the protective effects against immunological liver injury through multi-components,multi-targets and multipathways.

关 键 词：毡毛马兰挥发油 免疫性肝损伤 GC-MS 网络药理学 

分 类 号：R932[医药卫生—生药学]