Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design.
Journal
PloS one
ISSN: 1932-6203
Titre abrégé: PLoS One
Pays: United States
ID NLM: 101285081
Informations de publication
Date de publication:
2019
2019
Historique:
received:
29
11
2018
accepted:
15
04
2019
entrez:
9
5
2019
pubmed:
9
5
2019
medline:
22
1
2020
Statut:
epublish
Résumé
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.
Identifiants
pubmed: 31067280
doi: 10.1371/journal.pone.0216132
pii: PONE-D-18-34266
pmc: PMC6505943
doi:
Substances chimiques
Recombinant Proteins
0
alpha-Mannosidase
EC 3.2.1.24
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e0216132Déclaration de conflit d'intérêts
The authors have declared that no competing interests exist.
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