Emerging applications of metabolomics in drug discovery and precision medicine

DS Wishart - Nature reviews Drug discovery, 2016 - nature.com
Metabolomics is an emerging'omics' science involving the comprehensive characterization
of metabolites and metabolism in biological systems. Recent advances in metabolomics …

A tutorial review: Metabolomics and partial least squares-discriminant analysis–a marriage of convenience or a shotgun wedding

PS Gromski, H Muhamadali, DI Ellis, Y Xu, E Correa… - Analytica chimica …, 2015 - Elsevier
The predominance of partial least squares-discriminant analysis (PLS-DA) used to analyze
metabolomics datasets (indeed, it is the most well-known tool to perform classification and …

Mass spectral databases for LC/MS-and GC/MS-based metabolomics: State of the field and future prospects

M Vinaixa, EL Schymanski, S Neumann… - TrAC Trends in …, 2016 - Elsevier
At present, mass spectrometry (MS)-based metabolomics has been widely used to obtain
new insights into human, plant, and microbial biochemistry; drug and biomarker discovery; …

Recent advances in proteomics and metabolomics in plants

S Yan, R Bhawal, Z Yin, TW Thannhauser… - Molecular Horticulture, 2022 - Springer
Over the past decade, systems biology and plant-omics have increasingly become the main
stream in plant biology research. New developments in mass spectrometry and …

Current approaches and challenges for the metabolite profiling of complex natural extracts

JL Wolfender, G Marti, A Thomas, S Bertrand - Journal of Chromatography …, 2015 - Elsevier
Metabolite profiling is critical in many aspects of the life sciences, particularly natural product
research. Obtaining precise information on the chemical composition of complex natural …

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

WB Dunn, D Broadhurst, P Begley, E Zelena… - Nature protocols, 2011 - nature.com
Metabolism has an essential role in biological systems. Identification and quantitation of the
compounds in the metabolome is defined as metabolic profiling, and it is applied to define …

Systems-level annotation of a metabolomics data set reduces 25 000 features to fewer than 1000 unique metabolites

NG Mahieu, GJ Patti - Analytical chemistry, 2017 - ACS Publications
When using liquid chromatography/mass spectrometry (LC/MS) to perform untargeted
metabolomics, it is now routine to detect tens of thousands of features from biological …

CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets

C Kuhl, R Tautenhahn, C Bottcher, TR Larson… - Analytical …, 2012 - ACS Publications
Liquid chromatography coupled to mass spectrometry is routinely used for metabolomics
experiments. In contrast to the fairly routine and automated data acquisition steps …

Metabolite induction via microorganism co-culture: a potential way to enhance chemical diversity for drug discovery

S Bertrand, N Bohni, S Schnee, O Schumpp… - Biotechnology …, 2014 - Elsevier
Microorganisms have a long track record as important sources of novel bioactive natural
products, particularly in the field of drug discovery. While microbes have been shown to …

Chemical discovery in the era of metabolomics

M Sindelar, GJ Patti - Journal of the American Chemical Society, 2020 - ACS Publications
Untargeted metabolomics aims to quantify the complete set of metabolites within a biological
system, most commonly by liquid chromatography/mass spectrometry (LC/MS). Since nearly …