ArticleJournal of cheminformatics2020
Too sweet: cheminformatics for deglycosylation in natural products.
Article in Journal of cheminformatics, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Cheminformatics Microservice V3: a web portal for chemical structure manipulation and analysis.Journal of cheminformatics · 2025Article
- Toward integration of glycan chemical databases: an algorithm and software tool for extracting sugars from chemical structures.Analytical and bioanalytical chemistry · 2025Article
- Time-Dependent Comparison of the Structural Variations of Natural Products and Synthetic Compounds.International journal of molecular sciences · 2024Article
- A terpenoids database with the chemical content as a novel agronomic trait.Database : the journal of biological databases and curation · 2024Article
- Cheminformatics Microservice: unifying access to open cheminformatics toolkits.Journal of cheminformatics · 2023Article
- Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations.Journal of molecular modeling · 2023Article
- Two years of explicit CiTO annotations.Journal of cheminformatics · 2023Article
- MORTAR: a rich client application for in silico molecule fragmentation.Journal of cheminformatics · 2023Article
- Pseudonatural Products Occur Frequently in Biologically Relevant Compounds.Journal of chemical information and modeling · 2021Article
- New derivatives of the iridoid specioside from fungal biotransformation.Applied microbiology and biotechnology · 2021Article
- Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop.Journal of cheminformatics · 2021Article
- Description and Analysis of Glycosidic Residues in the Largest Open Natural Products Database.Biomolecules · 2021Article
- The Three Pillars of Natural Product Dereplication. Alkaloids from the Bulbs ofMolecules (Basel, Switzerland) · 2021Article
- COCONUT online: Collection of Open Natural Products database.Journal of cheminformatics · 2021Article
- A Catalog of Natural Products Occurring in Watermelon-Frontiers in nutrition · 2021Article
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Sugar units in natural products are pharmacokinetically important but often redundant and therefore obstructing the study of the structure and function of the aglycon. Therefore, it is recommended to remove the sugars before a theoretical or experimental study of a molecule. Deglycogenases, enzymes that specialized in sugar removal from small molecules, are often used in laboratories to perform this task. However, there is no standardized computational procedure to perform this task in silico. In this work, we present a systematic approach for in silico removal of ring and linear sugars from molecular structures. Particular attention is given to molecules of biological origin and to their structural specificities. This approach is made available in two forms, through a free and open web application and as standalone open-source software.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.