Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design
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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.
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PLOS ONE, 14, 5, PLOS, San Francisco, California, US, 2019, https://doi.org/10.1371/journal.pone.0216132