Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design.

ABSTRACT: Golgi α-mannosidase II (GMII) is a glycoside hydrolase playing a crucial role in the N-glycosylation pathway. In various tumour cell lines, the distribution of N-linked sugars on the cell surface is modified and correlates with the progression of tumour metastasis. GMII therefore is a possible molecular target for anticancer agents. Here, we describe the identification of a non-competitive GMII inhibitor using computer-aided drug design methods including identification of a possible allosteric binding site, pharmacophore search and virtual screening.

SUBMITTER: Irsheid L 

PROVIDER: S-EPMC6505943 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature