鱼腥草挥发油体外代谢通用客体“印迹模板”研究  

Study on general object“imprinted template”for in vitro metabolism of volatile oil from Houttuynia cordata

作　　者：周燕子 王敏存 贺玉婷 李海英 陈定芳 潘雪[1,2] 周逸群 贺福元[1,2,3] ZHOU Yan-zi;WANG Min-cun;HE Yu-ting;LI Hai-ying;CHEN Ding-fang;PAN Xue;ZHOU Yi-qun;HE Fu-yuan(College of Pharmacy,Hunan University of Chinese Medicine,Changsha 410208,China;Hunan Provincial Key Laboratory of Drugability and Preparation Modification of TCM,Changsha 410208,China;Supramolecular Mechanism and Mathematic-Physics Chracterization forChinese Materia Medica,Hunan University of Chinese Medicine,Changsha 410208,China)

机构地区：[1]湖南中医药大学药学院,湖南长沙410208 [2]中药成药性与制剂制备湖南省重点实验室,湖南长沙410208 [3]湖南中医药大学中医药超分子机理与数理特征化实验室,湖南长沙410208

出　　处：《中草药》2021年第1期75-81,共7页Chinese Traditional and Herbal Drugs

基　　金：国家自然科学基金资助项目(81573691);国家自然科学基金资助项目(81874507);国家自然科学基金青年项目(81803729);湖南省教育厅优秀青年项目(20B438);湖南省自然科学基金青年项目(2019JJ50430)。

摘　　要：目的基于体外代谢模型对鱼腥草Houttuynia cordata挥发油代谢产物通用客体"印迹模板"进行研究。方法自制鱼腥草注射液(Houttuyniae Injection,HI),将其在大鼠肝微粒(RLM)中进行孵育,于不同时间点采集样本,进行GC-MS测定;计算所有代谢产物的分子连接性指数(MCI),并从中筛选出代谢产物的共有成分和非共有成分,总结其结构特点,运用夹角余弦法计算相似度;将所有代谢成分进行归类。结果共得到鱼腥草挥发油代谢产物62个,其中共有成分6个,分别是十四烷、植烷、正癸酸、己酸、乙酸异龙脑酯和正己醇,除乙酸异龙脑酯外,MCI与总体代谢产物相似度较高(0.914~0.964)。将非共有成分归类得到6个成分群,其平均MCI与总代谢产物MCI的相似度均较高(0.939~0.999),然而各个成分群之间的平均MCI相似度差异显著。结论以超分子"印迹模板"为理论指导,为鱼腥草挥发油代谢产物进行了归类。采用分子连接性指数和夹角余弦法,表征了鱼腥草挥发油代谢通用客体"印迹模板"。Objective To study general object"imprinted template"of volatile oil metabolites of Houttuynia cordata based on in vitro metabolic model.Methods Houttuyniae Injection was incubated in rat liver microparticle(RLM).The samples were collected at different time points for GC-MS determination.The molecular connectivity index(MCI)of all metabolites was calculated.The common and non-common components of metabolites were selected,and the structural characteristics were summarized.The similarity was calculated by angle cosine method,and all metabolic components were classified.Results A total of 62 metabolites of volatile oil from H.cordata were obtained,including six components:tetradecane,n-decanoic acid,hexanoic acid,2,6,10,14-tetramethylhexadecane,D,L-isobornyl acetate,and 1-hexanol.Except D,L-isobornyl acetate,MCI have high similarity with the total metabolites(0.914—0.964).The non-common components were classified into six component groups,and the average MCI was highly similar to the total metabolite MCI(0.939—0.999).However,the average MCI similarity between each component group was significantly different.Conclusion Under the theoretical guidance of supramolecular"imprinting template",the metabolites of volatile oil of H.cordata were classified.The molecular connectivity index and angle cosine method were used to characterize the general guest"imprinted template"of volatile oil metabolism of H.cordata.

关 键 词：鱼腥草挥发油 代谢产物 超分子 印迹模板 分子连接性指数 GC-MS 体外代谢 通用客体 鱼腥草注射液 

分 类 号：R283.6[医药卫生—中药学]