scholarly journals Deciphering bioactive compounds of complex natural products by tandem mass spectral molecular networking combined with an aggregation-induced emission based probe

2020 ◽  
Author(s):  
Zhenzhong Yang ◽  
Jun Li ◽  
Xuechun Chen ◽  
Xiaoping Zhao ◽  
Yi Wang
Keyword(s):  
Natural Products ◽  
Bioactive Compounds ◽  
Tandem Mass ◽  
Molecular Networking ◽  
Aggregation Induced Emission ◽  
Mass Spectral

scholarly journals The Tripod for Bacterial Natural Product Discovery: Genome Mining, Silent Pathway Induction, and Mass Spectrometry-Based Molecular Networking

mSystems ◽  
2018 ◽  
Vol 3 (2) ◽  
Author(s):  
Daniela B. B. Trivella ◽  
Rafael de Felicio
Keyword(s):  
Mass Spectrometry ◽  
Natural Products ◽  
Natural Product ◽  
Biosynthetic Pathway ◽  
Genome Mining ◽  
Chemical Compounds ◽  
Gene Clusters ◽  
Tandem Mass ◽  
Molecular Networking ◽  
Natural Product Discovery

ABSTRACT Natural products are the richest source of chemical compounds for drug discovery. Particularly, bacterial secondary metabolites are in the spotlight due to advances in genome sequencing and mining, as well as for the potential of biosynthetic pathway manipulation to awake silent (cryptic) gene clusters under laboratory cultivation. Further progress in compound detection, such as the development of the tandem mass spectrometry (MS/MS) molecular networking approach, has contributed to the discovery of novel bacterial natural products. The latter can be applied directly to bacterial crude extracts for identifying and dereplicating known compounds, therefore assisting the prioritization of extracts containing novel natural products, for example. In our opinion, these three approaches—genome mining, silent pathway induction, and MS-based molecular networking—compose the tripod for modern bacterial natural product discovery and will be discussed in this perspective.

Comprehensive structural characterization of phenolics in litchi pulp using tandem mass spectral molecular networking

2019 ◽  
Vol 282 ◽  
pp. 9-17 ◽  
Author(s):  
Qiang Lyu ◽  
Ting-Hao Kuo ◽  
Chongde Sun ◽  
Kunsong Chen ◽  
Cheng-Chih Hsu ◽  
...  
Keyword(s):  
Structural Characterization ◽  
Tandem Mass ◽  
Molecular Networking ◽  
Mass Spectral

Global Natural Products Social Molecular Networking (GNPS): Fundamentals and Applications

2020 ◽  
Author(s):  
A. KARUPPUSAMY ◽  
F. F. FIGUEIREDO ◽  
Domingos Tabajara de Oliveira MARTINS ◽  
N.Z.T. JESUS ◽  
A.M. CARABALLO-RODRÍGUEZ
Keyword(s):  
Natural Products ◽  
Molecular Networking

scholarly journals Metabolome-Based Discrimination Analysis of Five Lilium Bulbs Associated with Differences in Secondary Metabolites

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1340
Author(s):  
Ying Kong ◽  
Huan Wang ◽  
Lixin Lang ◽  
Xiaoying Dou ◽  
Jinrong Bai
Keyword(s):  
Secondary Metabolites ◽  
Bioactive Compounds ◽  
Functional Foods ◽  
Tandem Mass ◽  
Limited Information ◽  
Eastern Asia ◽  
Discrimination Analysis ◽  
Lilium Species ◽  
Metabolite Profiles ◽  
Ultrahigh Performance Liquid Chromatography

The bulbs of several Lilium species are considered to be both functional foods and traditional medicine in northern and eastern Asia. Considering the limited information regarding the specific bioactive compounds contributing to the functional properties of these bulbs, we compared the secondary metabolites of ten Lilium bulb samples belonging to five different species, using an ultrahigh-performance liquid chromatography-electrospray ionization-tandem mass spectrometry (UPLC-ESI-MS/MS)-based secondary metabolomics approach. In total, 245 secondary metabolites were detected; further, more metabolites were detected from purple Lilium bulbs (217 compounds) than from white bulbs (123–171 compounds). Similar metabolite profiles were detected in samples within the same species irrespective of where they were collected. By combining herbal analysis and screening differential metabolites, steroid saponins were considered the key bioactive compounds in medicinal lilies. Of the 14 saponins detected, none were accumulated in the bulbs of L. davidii var. willmottiae, also called sweet lily. The purple bulbs of L. regale accumulated more secondary metabolites, and, notably, more phenolic acid compounds and flavonoids. Overall, this study elucidates the differential metabolites in lily bulbs with varying functions and colors and provides a reference for further research on functional foods and the medicinal efficacy of Lilium species.

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