Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking
The potential of the diverse chemistries present in natural products (NP) for biotechnology
and medicine remains untapped because NP databases are not searchable with raw data …
and medicine remains untapped because NP databases are not searchable with raw data …
The evolution of genome mining in microbes–a review
Covering: 2006 to 2016 The computational mining of genomes has become an important
part in the discovery of novel natural products as drug leads. Thousands of bacterial …
part in the discovery of novel natural products as drug leads. Thousands of bacterial …
A computational framework to explore large-scale biosynthetic diversity
JC Navarro-Muñoz, N Selem-Mojica… - Nature chemical …, 2020 - nature.com
Genome mining has become a key technology to exploit natural product diversity. Although
initially performed on a single-genome basis, the process is now being scaled up to mine …
initially performed on a single-genome basis, the process is now being scaled up to mine …
BiG-FAM: the biosynthetic gene cluster families database
Computational analysis of biosynthetic gene clusters (BGCs) has revolutionized natural
product discovery by enabling the rapid investigation of secondary metabolic potential within …
product discovery by enabling the rapid investigation of secondary metabolic potential within …
antiSMASH 3.0—a comprehensive resource for the genome mining of biosynthetic gene clusters
Microbial secondary metabolism constitutes a rich source of antibiotics, chemotherapeutics,
insecticides and other high-value chemicals. Genome mining of gene clusters that encode …
insecticides and other high-value chemicals. Genome mining of gene clusters that encode …
Searching molecular structure databases with tandem mass spectra using CSI: FingerID
Metabolites provide a direct functional signature of cellular state. Untargeted metabolomics
experiments usually rely on tandem MS to identify the thousands of compounds in a …
experiments usually rely on tandem MS to identify the thousands of compounds in a …
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 …
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 …
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 …
Enzymatic halogenation and dehalogenation reactions: pervasive and mechanistically diverse
Naturally produced halogenated compounds are ubiquitous across all domains of life where
they perform a multitude of biological functions and adopt a diversity of chemical structures …
they perform a multitude of biological functions and adopt a diversity of chemical structures …