藏药短管兔耳草血中移行成分及其与XOD分子对接研究  

Study on the Constituents Absorbed into the Blood of Lagotisbrevituba Maxim and Their Molecular Docking with XOD

作　　者：谢雄雄 谢晶 曾金祥 张晨辉 李敏 梁健 朱继孝 钟国跃 罗光明 姚鹏程 桂雅琪 XIE Xiong-xiong;XIE Jing;ZENG Jin-xiang;ZHANG Chen-hui;LI Min;LIANG Jian;ZHU Ji-xiao;ZHONG Guo-yue;LUOGuang-ming;YAO Peng-cheng;GUI Ya-qi(The Research Center of Chinese Medicine Resource and National Medicine of Jiangxi University of Traditional Chinese Medicine,Nanchang 330004,China)

机构地区：[1]江西中医药大学中药资源与民族药研究中心,南昌330004

出　　处：《江西中医药大学学报》2020年第5期71-76,115,共7页Journal of Jiangxi University of Chinese Medicine

基　　金：国家自然科学基金项目(81660648);江西省自然科学基金项目(20171BAB205090);江西中医药大学民族药协同创新项目(JXXT2018001);江西中医药大学研究生创新基金项目(JZYC18S11)。

摘　　要：目的:研究藏药短管兔耳草(Lagotisbrevituba Maxim)血中移行成分及其潜在的黄嘌呤氧化酶(XOD)抑制活性,为基于藏药短管兔耳草的降尿酸新药开发提供依据。方法:采用UPLC-Q-TOF/MS液质联用仪分析藏药短管兔耳草提取物灌胃后入血成分,得到各成分的总离子流图和二级质谱图,结合对照品与文献,对各色谱峰进行鉴定。同时,应用分子对接软件研究各成分与XOD的亲和力,预测各成分潜在的XOD抑制活性,并测试了部分捕集成分活性。结果:共检测出14个入血成分,鉴定了11个成分,其中8个为原型成分,3个为代谢成分。这些成分均可与XOD自发结合,其中8个成分对XOD具有抑制活性。结论:UPLC-Q-TOF/MS联用分子对接技术可成功解析藏药短管兔耳草提取物血中移行成分及其潜在的XOD抑制剂,为短管兔耳草降尿酸新药的开发提供了一定实验依据。Objective:The constituents of Lagotisbrevituba Maxim absorbed into the blood and their potential XOD inhibitory activities were studied to provide experimental and theoretical basis for the development of novel medicinefor treatment of gout and hyperuricemia.Method:The UPLC-Q-TOF/MS full scan and MS/MS were established to identify the components of Lagotisbrevituba Maxim extract in the blood of SD rats after oral administration.And the potential XOD inhibitory activities of the identified components were evaluated using molecular docking technique.The XOD inhibitory effects of the identified components were further evaluated in vitro.Result:There were 14 blood components in serum after oral administered,and 11 components were identified.Among them,9 were prototype components and 3 were metabolic components.All the compounds could spontaneously bind with XOD,which showed potential XOD inhibitory activities and further proved by the experiments in vitro.Conclusion:The results showed that the UPLC-Q-TOF/MS and molecular docking is very suitable to identify the potential XOD inhibitors in Lagotisbrevituba Maxim.And the work provides an evidence for further development of novel medicines for treatment of gout and hyperuricemia.

关 键 词：藏药短管兔耳草 UPLC-Q-TOF/MS 血清移行成分 分子对接 XOD抑制剂 

分 类 号：R284.1[医药卫生—中药学]