Please use this identifier to cite or link to this item: http://doi.org/10.25358/openscience-154
Authors: Irsheid, Lina
Wehler, Thomas
Borek, Christoph
Kiefer, Werner
Brenk, Ruth
Ortiz-Soto, Maria Elena
Seibel, Jürgen
Schirmeister, Tanja
Title: Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design
Online publication date: 17-Jun-2019
Language: english
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.
DDC: 570 Biowissenschaften
570 Life sciences
Institution: Johannes Gutenberg-Universität Mainz
Department: FB 04 Medizin
FB 09 Chemie, Pharmazie u. Geowissensch.
Place: Mainz
DOI: http://doi.org/10.25358/openscience-154
URN: urn:nbn:de:hebis:77-publ-591098
Version: Published version
Publication type: Zeitschriftenaufsatz
License: CC BY
Information on rights of use: https://creativecommons.org/licenses/by/4.0/
Journal: PLOS ONE
14
5
Pages or article number: e0216132
Publisher: PLOS
Publisher place: San Francisco, California, US
Issue date: 2019
ISSN: 1932-6203
Publisher URL: http://dx.doi.org/10.1371/journal.pone.0216132
Publisher DOI: 10.1371/journal.pone.0216132
Appears in collections:JGU-Publikationen

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