UPLC-Q-TOF-MS/MS联和GNPS技术对山茱萸及其炮制品的化学成分差异研究  

Research on chemical constituent differences of the Corni Fructus and its processed products by UPLC-Q-TOF-MS/MS coupled with GNPS

作　　者：向俊 范倩 陈雪冰 徐婷 汪玉梅[3] 王倩[3] 张翠仙[3] XIANG Jun;FAN Qian;CHEN Xue-bing;XU Ting;WANG Yu-mei;WANG Qian;ZHANG Cui-xian(Second Affiliated Hospital of Guangzhou University of Chinese Medicine,Guangzhou 510120,China;Pharmacy Department,Guangdong Yifang Pharmaceutical Co.,Ltd.,Foshan 528244,China;School of Traditional Chinese Medicine,Guangzhou University of Chinese Medicine,Guangzhou 510006,China)

机构地区：[1]广州中医药大学第二附属医院,广东广州510120 [2]广东一方制药有限公司,广东佛山528244 [3]广州中医药大学中药学院,广东广州510006

出　　处：《中草药》2023年第24期7989-8006,共18页Chinese Traditional and Herbal Drugs

基　　金：广州中医药大学“薪火计划”重点项目(XH20170110);广州中医药大学“高水平大学建设”项目(No.81)。

摘　　要：目的 山茱萸Fructus Corni及其炮制品(酒制山茱萸和盐制山茱萸)临床上广泛应用,对其进行系统化学成分分析,以期阐释山茱萸及其不同炮制品间差异性成分。方法 结合全球天然产物交互分子网络平台(global natural products social molecular networking,GNPS)技术,采用超高效液相色谱-四极杆/飞行时间质谱(UPLC-Q-TOF-MS/MS)对山茱萸化学成分进行全成分分析;采用主成分分析(principal component analysis,PCA)和偏最小二乘判别分析(partial least squares discriminant analysis,PLS-DA)等方法分析山茱萸及其不同炮制品主要差异成分信息。结果 通过与对照品比对、数据库匹配及GNPS分子网络分析,从山茱萸中共鉴定出117个化学成分:44个环烯醚萜类成分、22个鞣质类成分、2个三萜类成分、19个黄酮及其苷类成分、21个有机酸类成分,9个其他类成分;其中12个首次从山茱萸中报道(含9个潜在新成分)。PCA(R^(2)_(X)=0.888,Q^(2)=0.647)和PLS-DA(R^(2)_(X)=0.858,R^(2)_(Y)==0.92,Q^(2)=0.763)对山茱萸及其炮制品进行分析,共筛出32个化学标记物。结论 对山茱萸水提物中化学成分进行较为全面分析,为其药效物质基础及质量控制研究奠定基础。同时较全面分析了山茱萸及其不同炮制品间的差异性成分,也为山茱萸不同炮制品的临床合理应用提供技术指导。Objective Corni Fructus(CF)and its processed products(wine-made and salt-made)were widely used in clinical practice.The chemical components of them were systematically analyzed to elucidate the differential constituents between crude and processed CF.Methods A sensitive ultra-high-performance liquid chromatography quadrupole/time-of-flight mass spectrometry(UPLC-Q-TOF-MS/MS)method coupled with global natural products social molecular networking(GNPS)was used to totally analyse the character constituents of CF,meanwhile,principal component analysis(PCA)and partial least squares discriminant analysis(PLS-DA)were applied to find the chemical markers for differentiating CF and its processed products.Results A total of 117 chemical components were tentatively identified through comparison with the control,database matching and GNPS molecular 32 chemical markers were screened by PCA(R^(2)_(X)=0.888,Q^(2)=0.647)and PLS-DA(R^(2)_(X)=0.858,R^(2)_(Y)=0.92,Q^(2)=0.763)analysis.Conclusions The chemical components in water extract of CF were analyzed comprehensively to lay a foundation for its pharmacodynamic material basis and quality control.Moreover,a comprehensive analysis of the differential constituents between crude and processed CF provided technical guidance for the clinical rational application of the CF and its different processed products.

关 键 词：山茱萸 炮制品 UPLC-Q-TOF-MS/MS 全球天然产物交互分子网络平台 差异物分析 马钱苷 莫诺苷 獐芽菜苷 没食子酸 

分 类 号：R284.1[医药卫生—中药学]