Advances in decomposing complex metabolite mixtures using substructure-and network-based computational metabolomics approaches
Covering: up to the end of 2020 Recently introduced computational metabolome mining
tools have started to positively impact the chemical and biological interpretation of …
tools have started to positively impact the chemical and biological interpretation of …
Metabolomics and genomics in natural products research: complementary tools for targeting new chemical entities
Covering: 2010 to 2021 Organisms in nature have evolved into proficient synthetic chemists,
utilizing specialized enzymatic machinery to biosynthesize an inspiring diversity of …
utilizing specialized enzymatic machinery to biosynthesize an inspiring diversity of …
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 …
Reproducible molecular networking of untargeted mass spectrometry data using GNPS
Abstract Global Natural Product Social Molecular Networking (GNPS) is an interactive online
small molecule–focused tandem mass spectrometry (MS2) data curation and analysis …
small molecule–focused tandem mass spectrometry (MS2) data curation and analysis …
American gut: an open platform for citizen science microbiome research
Although much work has linked the human microbiome to specific phenotypes and lifestyle
variables, data from different projects have been challenging to integrate and the extent of …
variables, data from different projects have been challenging to integrate and the extent of …
antiSMASH 4.0—improvements in chemistry prediction and gene cluster boundary identification
Many antibiotics, chemotherapeutics, crop protection agents and food preservatives
originate from molecules produced by bacteria, fungi or plants. In recent years, genome …
originate from molecules produced by bacteria, fungi or plants. In recent years, genome …
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 …
Accelerating metabolite identification in natural product research: toward an ideal combination of liquid chromatography–high-resolution tandem mass spectrometry …
Natural product research aims to characterize specialized metabolites from various living
organisms and assess their biological properties from either a chemical ecology or drug …
organisms and assess their biological properties from either a chemical ecology or drug …
The Ever-Expanding Pseudomonas Genus: Description of 43 New Species and Partition of the Pseudomonas putida Group
The genus Pseudomonas hosts an extensive genetic diversity and is one of the largest
genera among Gram-negative bacteria. Type strains of Pseudomonas are well known to …
genera among Gram-negative bacteria. Type strains of Pseudomonas are well known to …
Linking genomics and metabolomics to chart specialized metabolic diversity
JJJ van Der Hooft, H Mohimani… - Chemical Society …, 2020 - pubs.rsc.org
Microbial and plant specialized metabolites constitute an immense chemical diversity, and
play key roles in mediating ecological interactions between organisms. Also referred to as …
play key roles in mediating ecological interactions between organisms. Also referred to as …