Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database
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Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller University, Lessing Strasse 8, 07743 Jena, Germany
2
Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665 Recklinghausen, Germany
*
Authors to whom correspondence should be addressed.
Academic Editor: José L. Medina-Franco
Biomolecules 2021, 11(4), 486; https://doi.org/10.3390/biom11040486
Received: 26 February 2021
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Revised: 19 March 2021
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Accepted: 21 March 2021
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Published: 24 March 2021
(This article belongs to the Special Issue Computational Approaches for the Discovery and Development of Pharmacologically Active Natural Products)
Natural products (NPs), biomolecules produced by living organisms, inspire the pharmaceutical industry and research due to their structural characteristics and the substituents from which they derive their activities. Glycosidic residues are frequently present in NP structures and have particular pharmacokinetic and pharmacodynamic importance as they improve their solubility and are often involved in molecular transport, target specificity, ligand–target interactions, and receptor binding. The COlleCtion of Open Natural prodUcTs (COCONUT) is currently the largest open database of NPs, and therefore a suitable starting point for the detection and analysis of the diversity of glycosidic residues in NPs. In this work, we report and describe the presence of circular, linear, terminal, and non-terminal glycosidic units in NPs, together with their importance in drug discovery.
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Keywords:
natural products; glycosides; bioactivity; glycosidic residues; sugars; carbohydrates; deglycosylation; cheminformatics; Chemistry Development Kit; CDK
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MDPI and ACS Style
Schaub, J.; Zielesny, A.; Steinbeck, C.; Sorokina, M. Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database. Biomolecules 2021, 11, 486. https://doi.org/10.3390/biom11040486
AMA Style
Schaub J, Zielesny A, Steinbeck C, Sorokina M. Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database. Biomolecules. 2021; 11(4):486. https://doi.org/10.3390/biom11040486
Chicago/Turabian StyleSchaub, Jonas, Achim Zielesny, Christoph Steinbeck, and Maria Sorokina. 2021. "Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database" Biomolecules 11, no. 4: 486. https://doi.org/10.3390/biom11040486
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