Irsheid, L., Wehler, T., Borek, C., Kiefer, W., Brenk, R., Ortiz-Soto, M.E., Seibel, J., Schirmeister, T. (2019). Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design. PLoS ONE 14(5): e0216132.
FlyBase ID
FBrf0244657
Publication Type
Research paper
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.
