基于指纹图谱、体外抗菌实验和网络药理学的广藿香油抗菌作用机制探讨  

Antibacterial Mechanism of Patchouli Oil Based on Fingerprint,in Vitro Antibacterial Test,and Network Pharmacology

作　　者：李丽云 黎艳刚 孙文强 周云龙 孙思颖 丁江生 杨和金 林瑞超[2] LI Liyun;LI Yangang;SUN Wenqiang;ZHOU Yunlong;SUN Siying;DING Jiangsheng;YANG Hejin;LIN Ruichao(Yunnan Institute of Materia Medica/Yunnan Province Company Key Laboratory for Traditional Chinese Medicine and Ethnic Drug of New Drug Creation,Kunming 650111,China;School of Chinese Materia Medica,Beijing University of Chinese Medicine,Beijing 102488,China)

机构地区：[1]云南省药物研究所/云南省中药和民族药新药创制企业重点实验室,云南昆明650111 [2]北京中医药大学中药学院,北京102488

出　　处：《中国现代中药》2025年第1期60-70,共11页Modern Chinese Medicine

基　　金：云南特色植物筛选与研发服务CXO平台建设项目(2022YKZY001)。

摘　　要：目的:建立广藿香油的气相色谱法(GC)指纹图谱,结合体外抗菌实验和网络药理学探讨广藿香油抗菌作用机制。方法:采用GC构建18批广藿香油的指纹图谱并标定共有峰;通过相似度评价和聚类分析对广藿香油进行分类,并开展体外抗菌实验,利用正交偏最小二乘法-判别分析(OPLS-DA)筛选共有峰组间主要差异成分;运用网络药理学方法构建成分-靶点-疾病-通路网络,分析广藿香油抗菌的靶点和对应通路。结果:GC指纹图谱研究结合相似度评价和聚类分析结果显示,18批广藿香油分为2类,即市售广藿香油和自提广藿香油,两者之间有一定的差异;体外抗菌实验结果表明,自提广藿香油对6种致病菌有抑制作用,而市售广藿香油抑菌活性低;OPLSDA显示,广藿香油抑菌效果组间主要差异成分有2个,即百秋李醇和广藿香酮;网络药理学分析表明,2个成分主要通过作用于丝氨酸/苏氨酸蛋白激酶B1(Akt1)、磷酸肌醇3-激酶催化亚基β肽(PIK3CB)、表皮生长因子受体(EGFR)和络氨酸激酶受体2(ERBB2),调控缺氧诱导因子-1(HIF-1)、表皮生长因子受体(ErbB)、磷脂酰肌醇3-激酶(PI3K)/Akt等信号通路,进而发挥抗菌作用。结论:建立的广藿香油GC指纹图谱方法简便,筛选的2个活性成分百秋李醇和广藿香酮可作为广藿香油抗菌的质量标志物,为广藿香油的质量控制和抗菌作用机制研究提供参考。Objective:To establish the gas chromatography(GC)fingerprint of patchouli oil and explore its antibacterial mechanism through in vitro antibacterial experiments and network pharmacology.Methods:GC was used to establish the fingerprints of 18 batches of patchouli oil,with common peaks calibrated.Similarity evaluation and cluster analysis were employed to classify patchouli oil,followed by in vitro antibacterial tests.Orthogonal partial least squares-discriminant analysis(OPLS-DA)was used to identify the main differential components between groups with common peaks.Network pharmacology was applied to construct a component-target-disease-pathway network to analyze the antibacterial targets and corresponding pathways of patchouli oil.Results:GC fingerprint analysis,combined with similarity evaluation and cluster analysis,revealed that the 18 batches of patchouli oil were divided into two categories:commercially available patchouli oil and self-extracted patchouli oil,with some differences between them.The in vitro antibacterial test results showed that the self-extracted patchouli oil inhibited six pathogenic bacteria,whereas the commercially available patchouli oil exhibited low antibacterial activity.OPLS-DA identified two key components that contributed to the significant differences in antibacterial activity:patchouli alcohol and pogostone.Network pharmacology analysis indicated that these two components exerted antibacterial effects by acting on serine/threonine-protein kinase(Akt1),phosphatidylinositol 3-kinase catalytic subunit beta isoform(PIK3CB),epidermal growth factor receptor(EGFR),and tyrosine kinase receptor 2(ERBB2),and regulating pathways such as the hypoxia-inducible factor-1(HIF-1),epidermal growth factor receptor(ErbB),and phosphoinositide 3-kinase-serine/threonine-protein kinase(PI3K-Akt)signaling pathways.Conclusion:The GC fingerprinting method for patchouli oil established in this study is simple and reliable.The two active components,patchouli alcohol and pogostone,can be used as quality marker

关 键 词：广藿香油 指纹图谱 网络药理学 抗菌 

分 类 号：R285[医药卫生—中药学]