6533b82dfe1ef96bd12911da
RESEARCH PRODUCT
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subject
0301 basic medicineVirtual screeningMultidisciplinaryChemistryCellAllosteric regulationGolgi apparatus010402 general chemistry01 natural sciencesEnzyme structure0104 chemical sciences03 medical and health sciencessymbols.namesake030104 developmental biologymedicine.anatomical_structureBiochemistrymedicinesymbolsGlycoside hydrolaseBinding sitePharmacophoredescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2019-05-08 | PLOS ONE |