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

第一作者： Lai, Chang-Jiang-Sheng

作者： Lai, Chang-Jiang-Sheng;Zha, Liangping;Kang, Liping;Ma, Xiaojing;Zhan, Zhi-Lai;Nan, Tie-Gui;Yang, Jian;Li, Fajie;Yuan, Yuan;Huang, Lu-Qi;Liu, Da-Hui

作者机构：

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.

分类号： O65

  • 相关文献

[1]Changes of phospholipase A(2) and C activities during dry-cured duck processing and their relationship with intramuscular phospholipid degradation. Wang, Daoying,Xu, Xinglian,Zhou, Guanghong,Wang, Daoying,Zhang, Muhan,Bian, Huan,Xu, Weimin,Zhu, Yongzhi,Liu, Fang,Geng, Zhiming. 2014

[2]Changes of intramuscular phospholipids and free fatty acids during the processing of Nanjing dry-cured. Xu, Weimin,Xu, Xinglian,Zhou, Guanghong,Wang, Daoying,Li, Chunbao,Xu, Weimin,Wang, Daoying. 2008

[3]The protein and lipid composition of the membrane of milk fat globules depends on their size. Lu, Jing,Anggrek, Jeni,van Hooijdonk, Toon,Hettinga, Kasper Arthur,Lu, Jing,Boeren, Sjef,Vervoort, Jacques,Lu, Jing,Argov-Argaman, Nurit.

[4]Isolation and characterization of proteins and lipids from honeybee (Apis mellifera L.) queen larvae and royal jelly. Xu, Xiang,Gao, Yanxiang,Xu, Xiang.

[5]Myceligenerans halotolerans sp. nov., an actinomycete isolated from a salt lake, and emended description of the genus Myceligenerans. Tang, Shu-Kun,Li, Wen-Jun,Tang, Shu-Kun,Li, Wen-Jun,Wang, Yun,Li, Zhi,Lou, Kai,Li, Zhi,Mao, Pei-Hong,Jin, Xiang,Klenk, Hans-Peter,Zhang, Li-Xin,Li, Wen-Jun.

[6]Determination Of Intramuscular Phospholipid Classes And Molecular Species In Gaoyou Duck. Wang, Daoying,Xu, Weimin,Xu, Xinglian,Zhou, Guanghong,Li, Chunbao,Yang, Mingmin,Wang, Daoying,Xu, Weimin,Zhu, Yongzhi.

作者其他论文 更多>>

微信小程序