您好，欢迎访问云南省农业科学院 机构知识库！

Global profiling and rapid matching of natural products using diagnostic product ion network and in silico analogue database: Gastrodia elata as a case study

文献类型： 外文期刊

作者： Lai, Chang-Jiang-Sheng 1 ; Zha, Liangping 1 ; Liu, Da-Hui; Kang, Liping 1 ; Ma, Xiaojing 1 ; Zhan, Zhi-Lai 1 ; Nan, 1 ;

作者机构： 1.China Acad Chinese Med Sci, Natl Resource Ctr Chinese Mat Med, State Key Lab Breeding Base Dao Di Herbs, Beijing 100700, Peoples R China

2.China Acad Chinese Med Sci, Natl Resource Ctr Chinese Mat

关键词： Gastrodia elata;Diagnostic product ions network;Parishins;Phospholipids;SUMPRODUCT function;In silico analogue database

期刊名称：JOURNAL OF CHROMATOGRAPHY A （ 影响因子：4.759； 五年影响因子：4.302 ）

ISSN：

年卷期：

页码：

收录情况： SCI

摘要： Rapid discovery of novel compounds of a traditional herbal medicine is of vital significance for pharmaceutical industry and plant metabolic pathway analysis. However, discovery of unknown or trace natural products is an ongoing challenge. This study presents a universal targeted data-independent acquisition and mining strategy to globally profile and effectively match novel natural product analogues from an herbal extract. The famous medical plant Gastrodia elata was selected as an example. This strategy consists of three steps: (i) acquisition of accurate parent and adduct ions (PAIs) and the product ions data of all eluting compounds by untargeted full-scan MSE mode; (ii) rapid compound screening using diagnostic product ions (DPIs) network and in silico analogue database with SUMPRODUCT function to find novel candidates; and (iii) identification and isomerism discrimination of multiple types of compounds using ClogP and ions fragment behavior analyses. Using above data mining methods, a total of 152 compounds were characterized, and 70 were discovered for the first time, including series of phospholipids and novel gastroxyl derivatives. Furthermore, a number of gastronucleosides and phase II metabolites of gastrodin and parishins were discovered, including glutathionylated, cysteinylglycinated and cysteinated compounds, and phosphatidylserine analogues. This study extended the application of classical DPIs filter strategy and developed a structure-based screening approach with the potential for significant increase of efficiency for discovery and identification of trace novel natural products. (C) 2016 Elsevier B.V. All rights reserved.

  • 相关文献
作者其他论文 更多>>
置顶
购物车
反馈

© 京ICP备09089781号-29 主办单位：云南省农业科学院

学术资源： 中国农业科学院 农业专业知识服务系统 农科联盟资源共建共享平台 中国农业科技文献与信息服务平台 中国农业期刊集成服务平台