Mass spectrometry-based metabolomics in microbiome investigations

A Bauermeister, H Mannochio-Russo… - Nature Reviews …, 2022 - nature.com
Microbiotas are a malleable part of ecosystems, including the human ecosystem.
Microorganisms affect not only the chemistry of their specific niche, such as the human gut …

Comprehensive investigation of pathway enrichment methods for functional interpretation of LC–MS global metabolomics data

Y Lu, Z Pang, J Xia - Briefings in Bioinformatics, 2023 - academic.oup.com
Background: Global or untargeted metabolomics is widely used to comprehensively
investigate metabolic profiles under various pathophysiological conditions such as …

Advances in decomposing complex metabolite mixtures using substructure-and network-based computational metabolomics approaches

MA Beniddir, KB Kang, G Genta-Jouve, F Huber… - Natural product …, 2021 - pubs.rsc.org
Covering: up to the end of 2020 Recently introduced computational metabolome mining
tools have started to positively impact the chemical and biological interpretation of …

Pathway analysis in metabolomics: Recommendations for the use of over-representation analysis

C Wieder, C Frainay, N Poupin… - PLoS computational …, 2021 - journals.plos.org
Over-representation analysis (ORA) is one of the commonest pathway analysis approaches
used for the functional interpretation of metabolomics datasets. Despite the widespread use …

Metabolomics and complementary techniques to investigate the plant phytochemical cosmos

H Tsugawa, A Rai, K Saito, R Nakabayashi - Natural Product Reports, 2021 - pubs.rsc.org
Covering: up to 2021 Plants and their associated microbial communities are known to
produce millions of metabolites, a majority of which are still not characterized and are …

Integrative omics approaches for biosynthetic pathway discovery in plants

KS Singh, JJJ van der Hooft, SCM van Wees… - Natural Product …, 2022 - pubs.rsc.org
Covering: up to 2022 With the emergence of large amounts of omics data, computational
approaches for the identification of plant natural product biosynthetic pathways and their …

Recent advances in mass spectrometry-based computational metabolomics

TMD Ebbels, JJJ van der Hooft, H Chatelaine… - Current opinion in …, 2023 - Elsevier
The computational metabolomics field brings together computer scientists, bioinformaticians,
chemists, clinicians, and biologists to maximize the impact of metabolomics across a wide …

Single sample pathway analysis in metabolomics: performance evaluation and application

C Wieder, RPJ Lai, TMD Ebbels - BMC bioinformatics, 2022 - Springer
Background Single sample pathway analysis (ssPA) transforms molecular level omics data
to the pathway level, enabling the discovery of patient-specific pathway signatures …

Streamlined identification of strain engineering targets for bioprocess improvement using metabolic pathway enrichment analysis

J Cortada-Garcia, R Daly, SA Arnold, K Burgess - Scientific Reports, 2023 - nature.com
Metabolomics is a powerful tool for the identification of genetic targets for bioprocess
optimisation. However, in most cases, only the biosynthetic pathway directed to product …

BiG-MAP: an automated pipeline to profile metabolic gene cluster abundance and expression in microbiomes

V Pascal Andreu, HE Augustijn, K van den Berg… - Msystems, 2021 - Am Soc Microbiol
Microbial gene clusters encoding the biosynthesis of primary and secondary metabolites
play key roles in shaping microbial ecosystems and driving microbiome-associated …