Small molecule metabolites: discovery of biomarkers and therapeutic targets
S Qiu, Y Cai, H Yao, C Lin, Y Xie, S Tang… - Signal Transduction and …, 2023 - nature.com
Metabolic abnormalities lead to the dysfunction of metabolic pathways and metabolite
accumulation or deficiency which is well-recognized hallmarks of diseases. Metabolite …
accumulation or deficiency which is well-recognized hallmarks of diseases. Metabolite …
Identification and prioritization of environmental organic pollutants: from an analytical and toxicological perspective
Exposure to environmental organic pollutants has triggered significant ecological impacts
and adverse health outcomes, which have been received substantial and increasing …
and adverse health outcomes, which have been received substantial and increasing …
Integrative analysis of multimodal mass spectrometry data in MZmine 3
Innovation in mass spectrometry (MS) and the rapidly increasing throughput and sensitivity
of MS instrumentation require adaptations and innovations in data processing tools. Here …
of MS instrumentation require adaptations and innovations in data processing tools. Here …
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 …
Microorganisms affect not only the chemistry of their specific niche, such as the human gut …
High-confidence structural annotation of metabolites absent from spectral libraries
MA Hoffmann, LF Nothias, M Ludwig… - Nature …, 2022 - nature.com
Untargeted metabolomics experiments rely on spectral libraries for structure annotation, but,
typically, only a small fraction of spectra can be matched. Previous in silico methods search …
typically, only a small fraction of spectra can be matched. Previous in silico methods search …
Reverse metabolomics for the discovery of chemical structures from humans
Determining the structure and phenotypic context of molecules detected in untargeted
metabolomics experiments remains challenging. Here we present reverse metabolomics as …
metabolomics experiments remains challenging. Here we present reverse metabolomics as …
Metabolite annotation from knowns to unknowns through knowledge-guided multi-layer metabolic networking
Liquid chromatography-mass spectrometry (LC-MS) based untargeted metabolomics allows
to measure both known and unknown metabolites in the metabolome. However, unknown …
to measure both known and unknown metabolites in the metabolome. However, unknown …
Defining the scope of exposome studies and research needs from a multidisciplinary perspective
P Zhang, C Carlsten, R Chaleckis… - … science & technology …, 2021 - ACS Publications
The concept of the exposome was introduced over 15 years ago to reflect the important role
that the environment exerts on health and disease. While originally viewed as a call-to-arms …
that the environment exerts on health and disease. While originally viewed as a call-to-arms …
Advanced methods for natural products discovery: bioactivity screening, dereplication, metabolomics profiling, genomic sequencing, databases and informatic tools …
Natural Products (NP) are essential for the discovery of novel drugs and products for
numerous biotechnological applications. The NP discovery process is expensive and time …
numerous biotechnological applications. The NP discovery process is expensive and time …
Annotation of natural product compound families using molecular networking topology and structural similarity fingerprinting
NJ Morehouse, TN Clark, EJ McMann… - Nature …, 2023 - nature.com
Spectral matching of MS2 fragmentation spectra has become a popular method for
characterizing natural products libraries but identification remains challenging due to …
characterizing natural products libraries but identification remains challenging due to …