| Literature DB >> 34611872 |
Andrew G McDonald1, Gavin P Davey2.
Abstract
The web application O-Glycologue provides an online simulation of the biosynthetic enzymes of O-linked glycosylation, using a knowledge-based system described previously. Glycans can be imported in GlycoCT condensed format, or else as IUPAC condensed names, and passed as substrates to the enzymes, which are modeled as regular-expression-based substitutions on strings. The resulting networks of reactions can be exported as SBML. The effects of knocking out different sets of enzyme activities can be compared. A method is provided for predicting the enzymes required to produce a given substrate, using an O-glycan from human gastric mucin as an example. The system has been adapted to other systems of glycosylation enzymes, and an application to ganglioside oligosaccharide synthesis is demonstrated. O-Glycologue is available at https://glycologue.org/o/ .Entities:
Keywords: Computational modeling; Gangliosides; Glycosyltransferases; Human milk oligosaccharides; O-linked glycosylation
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Year: 2022 PMID： 34611872 DOI： 10.1007/978-1-0716-1685-7_11
Source DB: PubMed Journal: Methods Mol Biol ISSN： 1064-3745