Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design.
oleh: Lina Irsheid, Thomas Wehler, Christoph Borek, Werner Kiefer, Ruth Brenk, Maria Elena Ortiz-Soto, Jürgen Seibel, Tanja Schirmeister
| Format: | Article |
|---|---|
| Diterbitkan: | Public Library of Science (PLoS) 2019-01-01 |
Deskripsi
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.