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 |
Year of first publication: | 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 |
ROR: | https://ror.org/023b0x485 |
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 |