Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design
Irsheid, Lina; Wehler, Thomas; Borek, Christoph; Kiefer, Werner; Brenk, Ruth; Ortiz-Soto, Maria Elena; Seibel, Jurgen; Schirmeister, Tanja
Peer reviewed, Journal article
Published version
Åpne
Permanent lenke
https://hdl.handle.net/1956/23570Utgivelsesdato
2019-05-08Metadata
Vis full innførselSamlinger
Originalversjon
https://doi.org/10.1371/journal.pone.0216132Sammendrag
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.