Use of natural products as chemical library for drug discovery and network pharmacology.
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TLDR
Analysis of molecular descriptors, distribution in chemical space and biological activities of natural products found that natural products have vast chemical diversity, good drug-like properties and can interact with multiple cellular target proteins.Abstract:
Background
Natural products have been an important source of lead compounds for drug discovery. How to find and evaluate bioactive natural products is critical to the achievement of drug/lead discovery from natural products.read more
Citations
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The re-emergence of natural products for drug discovery in the genomics era
TL;DR: This work reviews strategies for natural product screening that harness the recent technical advances that have reduced technical barriers and assess the use of genomic and metabolomic approaches to augment traditional methods of studying natural products.
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Spirooxindoles: Promising scaffolds for anticancer agents.
Bin Yu,De-Quan Yu,Hong-Min Liu +2 more
TL;DR: This review highlights recent progress of biologically active spirooxindoles for their anticancer potentials, mainly focusing on the discussions of SARs and modes of action.
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Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics.
TL;DR: Structured elucidation approaches and software that are designed to help during the annotation of unknown compounds, including MS-FINDER, CFM-ID, MetFrag, ChemDistiller and CSI:FingerID are critically discussed.
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Network pharmacology applications to map the unexplored target space and therapeutic potential of natural products
TL;DR: It is argued that a network pharmacology approach would enable an effective mapping of the yet unexplored target space of natural products, hence providing a systematic means to extend the druggable space of proteins implicated in various complex diseases.
Journal ArticleDOI
Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication
Pierre-Marie Allard,Tiphaine Péresse,Jonathan Bisson,Katia Gindro,Laurence Marcourt,Van Cuong Pham,Fanny Roussi,Marc Litaudon,Jean-Luc Wolfender +8 more
TL;DR: This work proposes an innovative dereplication strategy based on the combination of MN with an extensive in-silico MS/MS fragmentation database of NPs, and demonstrates that this combined approach offers a powerful tool to navigate through the chemistry of complex NPs extracts, dereplicate metabolites, and annotate analogues of database entries.
References
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David J. Newman,Gordon M. Cragg +1 more
TL;DR: This review is an updated and expanded version of the three prior reviews and adds a new designation, "natural product botanical" or "NB", to cover those botanical "defined mixtures" that have now been recognized as drug entities by the FDA and similar organizations.