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描述和分析最大的天然产物开放式数据库中的糖苷残基。

Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database.

机构信息

Institute for Inorganic and Analytical Chemistry, Friedrich-Schiller University, Lessing Strasse 8, 07743 Jena, Germany.

Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, August-Schmidt-Ring 10, 45665 Recklinghausen, Germany.

出版信息

Biomolecules. 2021 Mar 24;11(4):486. doi: 10.3390/biom11040486.

Abstract

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.

摘要

天然产物(NPs)是生物体产生的生物分子,由于其结构特征和衍生出它们活性的取代基,激发了制药行业和研究领域的兴趣。糖苷残基经常存在于 NP 结构中,具有特殊的药代动力学和药效学重要性,因为它们提高了溶解度,并且经常参与分子运输、靶标特异性、配体-靶标相互作用和受体结合。COlleCtion of Open Natural prodUcTs (COCONUT) 是目前最大的 NPs 开放数据库,因此是检测和分析 NPs 中糖苷残基多样性的合适起点。在这项工作中,我们报告并描述了 NPs 中环状、线状、末端和非末端糖苷单元的存在及其在药物发现中的重要性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0d76/8063959/11d649abe2e4/biomolecules-11-00486-g001.jpg

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