Software tools and approaches for compound identification of LC-MS/MS data in metabolomics
The annotation of small molecules remains a major challenge in untargeted mass
spectrometry-based metabolomics. We here critically discuss structured elucidation …
spectrometry-based metabolomics. We here critically discuss structured elucidation …
The re-emergence of natural products for drug discovery in the genomics era
AL Harvey, RA Edrada-Ebel, RJ Quinn - Nature reviews drug discovery, 2015 - nature.com
Natural products have been a rich source of compounds for drug discovery. However, their
use has diminished in the past two decades, in part because of technical barriers to …
use has diminished in the past two decades, in part because of technical barriers to …
Identification of small molecules using accurate mass MS/MS search
Tandem mass spectral library search (MS/MS) is the fastest way to correctly annotate MS/MS
spectra from screening small molecules in fields such as environmental analysis, drug …
spectra from screening small molecules in fields such as environmental analysis, drug …
Bioactivity-based molecular networking for the discovery of drug leads in natural product bioassay-guided fractionation
LF Nothias, M Nothias-Esposito… - Journal of natural …, 2018 - ACS Publications
It is a common problem in natural product therapeutic lead discovery programs that despite
good bioassay results in the initial extract, the active compound (s) may not be isolated …
good bioassay results in the initial extract, the active compound (s) may not be isolated …
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 …
Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication
Dereplication represents a key step for rapidly identifying known secondary metabolites in
complex biological matrices. In this context, liquid-chromatography coupled to high …
complex biological matrices. In this context, liquid-chromatography coupled to high …
Current approaches and challenges for the metabolite profiling of complex natural extracts
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 …
research. Obtaining precise information on the chemical composition of complex natural …
Propagating annotations of molecular networks using in silico fragmentation
The annotation of small molecules is one of the most challenging and important steps in
untargeted mass spectrometry analysis, as most of our biological interpretations rely on …
untargeted mass spectrometry analysis, as most of our biological interpretations rely on …
Microbial communication leading to the activation of silent fungal secondary metabolite gene clusters
T Netzker, J Fischer, J Weber, DJ Mattern… - Frontiers in …, 2015 - frontiersin.org
Microorganisms form diverse multispecies communities in various ecosystems. The high
abundance of fungal and bacterial species in these consortia results in specific …
abundance of fungal and bacterial species in these consortia results in specific …
Dereplication strategies in natural product research: How many tools and methodologies behind the same concept?
J Hubert, JM Nuzillard, JH Renault - Phytochemistry Reviews, 2017 - Springer
The development of new drugs will certainly benefit from an ever improving knowledge of
the living beings chemistry. However, identification of drugable molecules within the …
the living beings chemistry. However, identification of drugable molecules within the …