McDonald Andrew G, Davey Gavin P
School of Biochemistry and Immunology, Trinity College Dublin, Dublin 2, Ireland.
Beilstein J Org Chem. 2021 Mar 23;17:739-748. doi: 10.3762/bjoc.17.64. eCollection 2021.
Gangliosides are an important class of sialylated glycosphingolipids linked to ceramide that are a component of the mammalian cell surface, especially those of the central nervous system, where they function in intercellular recognition and communication. We describe an in silico method for determining the metabolic pathways leading to the most common gangliosides, based on the known enzymes of their biosynthesis. A network of 41 glycolipids is produced by the actions of the 10 enzymes included in the model. The different ganglioside nomenclature systems in common use are compared and a systematic variant of the widely used Svennerholm nomenclature is described. Knockouts of specific enzyme activities are used to simulate congenital defects in ganglioside biosynthesis, and altered ganglioside status in cancer, and the effects on network structure are predicted. The simulator is available at the Glycologue website, https://glycologue.org/.
神经节苷脂是一类重要的唾液酸化糖鞘脂，与神经酰胺相连，是哺乳动物细胞表面的组成成分，尤其是在中枢神经系统中，它们在细胞间识别和通讯中发挥作用。我们基于神经节苷脂生物合成的已知酶，描述了一种用于确定导致最常见神经节苷脂代谢途径的计算机方法。该模型中的10种酶作用产生了一个由41种糖脂组成的网络。比较了常用的不同神经节苷脂命名系统，并描述了广泛使用的斯韦纳霍尔姆命名法的一个系统变体。通过敲除特定酶活性来模拟神经节苷脂生物合成中的先天性缺陷以及癌症中神经节苷脂状态的改变，并预测对网络结构的影响。该模拟器可在Glycologue网站（https://glycologue.org/）上获取。
