Ethnobotany and the role of plant natural products in antibiotic drug discovery
The crisis of antibiotic resistance necessitates creative and innovative approaches, from
chemical identification and analysis to the assessment of bioactivity. Plant natural products …
chemical identification and analysis to the assessment of bioactivity. Plant natural products …
Making the collective knowledge of chemistry open and machine actionable
Large amounts of data are generated in chemistry labs—nearly all instruments record data
in a digital form, yet a considerable proportion is also captured non-digitally and reported in …
in a digital form, yet a considerable proportion is also captured non-digitally and reported in …
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 …
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 …
Natural products targeting strategies involving molecular networking: different manners, one goal
Covering: up to 2019 Landmark advances in bioinformatics tools have recently enhanced
the field of natural products research, putting today's natural product chemists in the …
the field of natural products research, putting today's natural product chemists in the …
The essential medicinal chemistry of cannabidiol (CBD)
This Perspective of the published essential medicinal chemistry of cannabidiol (CBD)
provides evidence that the popularization of CBD-fortified or CBD-labeled health products …
provides evidence that the popularization of CBD-fortified or CBD-labeled health products …
A convolutional neural network-based approach for the rapid annotation of molecularly diverse natural products
This report describes the first application of the novel NMR-based machine learning tool
“Small Molecule Accurate Recognition Technology”(SMART 2.0) for mixture analysis and …
“Small Molecule Accurate Recognition Technology”(SMART 2.0) for mixture analysis and …
NMR calculations with quantum methods: development of new tools for structural elucidation and beyond
MO Marcarino, MM Zanardi, S Cicetti… - Accounts of Chemical …, 2020 - ACS Publications
Conspectus Structural elucidation is an important and challenging stage in the discovery of
new organic molecules. Single-crystal X-ray analysis provides the most unquestionable …
new organic molecules. Single-crystal X-ray analysis provides the most unquestionable …
Innovative omics-based approaches for prioritisation and targeted isolation of natural products–new strategies for drug discovery
Covering: 2013 to 2019 The exploration of the chemical diversity of extracts from various
biological sources has led to major drug discoveries. Over the past two decades, despite the …
biological sources has led to major drug discoveries. Over the past two decades, despite the …