[HTML][HTML] Natural products in drug discovery: advances and opportunities
AG Atanasov, SB Zotchev, VM Dirsch… - Nature reviews Drug …, 2021 - nature.com
Natural products and their structural analogues have historically made a major contribution
to pharmacotherapy, especially for cancer and infectious diseases. Nevertheless, natural …
to pharmacotherapy, especially for cancer and infectious diseases. Nevertheless, natural …
Artificial intelligence for natural product drug discovery
Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …
the hidden diversity of natural products, unearthing new potential for drug discovery. In …
Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra
Metabolomics using nontargeted tandem mass spectrometry can detect thousands of
molecules in a biological sample. However, structural molecule annotation is limited to …
molecules in a biological sample. However, structural molecule annotation is limited to …
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 …
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 …
Indole-containing natural products 2019–2022: isolations, reappraisals, syntheses, and biological activities
Indole alkaloids represent a large subset of natural products, with more than 4100 known
compounds. The majority of these alkaloids are biologically active, with some exhibiting …
compounds. The majority of these alkaloids are biologically active, with some exhibiting …
Natural product anticipation through synthesis
Natural product synthesis remains one of the most vibrant and intellectually rewarding areas
of chemistry, although the justifications for pursuing it have evolved over time. In the early …
of chemistry, although the justifications for pursuing it have evolved over time. In the early …
Rapid discovery of two unprecedented meroterpenoids from Daphne altaica Pall. using molecular networking integrated with MolNetEnhancer and Network …
WY Zhou, ZH Xi, NN Du, L Ye, MH Jiang, JL Hao… - Chinese Chemical …, 2024 - Elsevier
Under the guidance of the approach which integrates molecular networking,
MolNetEnhancer and Network Annotation Propagation (NAP), daphnaltaicanoids A and B (1 …
MolNetEnhancer and Network Annotation Propagation (NAP), daphnaltaicanoids A and B (1 …
Integrated annotation prioritizes metabolites with bioactivity in inflammatory bowel disease
Microbial biochemistry is central to the pathophysiology of inflammatory bowel diseases
(IBD). Improved knowledge of microbial metabolites and their immunomodulatory roles is …
(IBD). Improved knowledge of microbial metabolites and their immunomodulatory roles is …
Chemical proportionality within molecular networks
D Petras, AM Caraballo-Rodríguez… - Analytical …, 2021 - ACS Publications
Molecular networking of non-targeted tandem mass spectrometry data connects structurally
related molecules based on similar fragmentation spectra. Here, we report the Chem ical …
related molecules based on similar fragmentation spectra. Here, we report the Chem ical …