Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design
- Publikationstyp:
- Zeitschriftenaufsatz
- Metadaten:
-
- Autoren
- Lina Irsheid
- Thomas Wehler
- Christoph Borek
- Werner Kiefer
- Ruth Brenk
- Maria Elena Ortiz-Soto
- Juergen Seibel
- Tanja Schirmeister
- Autoren-URL
- https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000467373000032&DestLinkType=FullRecord&DestApp=WOS_CPL
- DOI
- 10.1371/journal.pone.0216132
- Externe Identifier
- Clarivate Analytics Document Solution ID: HX4MT
- PubMed Identifier: 31067280
- ISSN
- 1932-6203
- Ausgabe der Veröffentlichung
- 5
- Zeitschrift
- PLOS ONE
- Artikelnummer
- ARTN e0216132
- Datum der Veröffentlichung
- 2019
- Status
- Published
- Titel
- Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design
- Sub types
- Article
- Ausgabe der Zeitschrift
- 14
Datenquelle: Web of Science (Lite)
- Andere Metadatenquellen:
-
- Autoren
- Lina Irsheid
- Thomas Wehler
- Christoph Borek
- Werner Kiefer
- Ruth Brenk
- Maria Elena Ortiz-Soto
- Jürgen Seibel
- Tanja Schirmeister
- DOI
- 10.1371/journal.pone.0216132
- Editoren
- Israel Silman
- eISSN
- 1932-6203
- Ausgabe der Veröffentlichung
- 5
- Zeitschrift
- PLOS ONE
- Sprache
- en
- Online publication date
- 2019
- Paginierung
- e0216132 - e0216132
- Status
- Published online
- Herausgeber
- Public Library of Science (PLoS)
- Herausgeber URL
- http://dx.doi.org/10.1371/journal.pone.0216132
- Datum der Datenerfassung
- 2022
- Titel
- Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design
- Ausgabe der Zeitschrift
- 14
Datenquelle: Crossref
- 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.
- Addresses
- Institute of Pharmacy and Biochemistry, University of Mainz, Mainz, Germany.
- Autoren
- Lina Irsheid
- Thomas Wehler
- Christoph Borek
- Werner Kiefer
- Ruth Brenk
- Maria Elena Ortiz-Soto
- Jürgen Seibel
- Tanja Schirmeister
- DOI
- 10.1371/journal.pone.0216132
- eISSN
- 1932-6203
- Externe Identifier
- PubMed Identifier: 31067280
- PubMed Central ID: PMC6505943
- Open access
- true
- ISSN
- 1932-6203
- Ausgabe der Veröffentlichung
- 5
- Zeitschrift
- PloS one
- Schlüsselwörter
- Golgi Apparatus
- Animals
- Drosophila melanogaster
- alpha-Mannosidase
- Recombinant Proteins
- Cloning, Molecular
- Binding Sites
- Allosteric Site
- Protein Structure, Quaternary
- Drug Design
- Molecular Docking Simulation
- Sprache
- eng
- Medium
- Electronic-eCollection
- Online publication date
- 2019
- Open access status
- Open Access
- Paginierung
- e0216132
- Datum der Veröffentlichung
- 2019
- Status
- Published
- Publisher licence
- CC BY
- Datum der Datenerfassung
- 2019
- Titel
- Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design.
- Sub types
- research-article
- Journal Article
- Ausgabe der Zeitschrift
- 14
Files
https://journals.plos.org/plosone/article/file?id=10.1371/journal.pone.0216132&type=printable https://europepmc.org/articles/PMC6505943?pdf=render
Datenquelle: Europe PubMed Central
- 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.
- Date of acceptance
- 2019
- Autoren
- Lina Irsheid
- Thomas Wehler
- Christoph Borek
- Werner Kiefer
- Ruth Brenk
- Maria Elena Ortiz-Soto
- Jürgen Seibel
- Tanja Schirmeister
- Autoren-URL
- https://www.ncbi.nlm.nih.gov/pubmed/31067280
- DOI
- 10.1371/journal.pone.0216132
- eISSN
- 1932-6203
- Externe Identifier
- PubMed Central ID: PMC6505943
- Ausgabe der Veröffentlichung
- 5
- Zeitschrift
- PLoS One
- Schlüsselwörter
- Allosteric Site
- Animals
- Binding Sites
- Cloning, Molecular
- Drosophila melanogaster
- Drug Design
- Golgi Apparatus
- Molecular Docking Simulation
- Protein Structure, Quaternary
- Recombinant Proteins
- alpha-Mannosidase
- Sprache
- eng
- Country
- United States
- Paginierung
- e0216132
- PII
- PONE-D-18-34266
- Datum der Veröffentlichung
- 2019
- Status
- Published online
- Datum, an dem der Datensatz öffentlich gemacht wurde
- 2020
- Titel
- Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design.
- Sub types
- Journal Article
- Ausgabe der Zeitschrift
- 14
Datenquelle: PubMed
- Author's licence
- CC-BY
- Autoren
- Lina Irsheid
- Thomas Wehler
- Christoph Borek
- Werner Kiefer
- Ruth Brenk
- Maria Elena Ortiz-Soto
- Jürgen Seibel
- Tanja Schirmeister
- Hosting institution
- Universitätsbibliothek Mainz
- Sammlungen
- JGU-Publikationen
- Resource version
- Published version
- URN
- urn:nbn:de:hebis:77-publ-591098
- DOI
- 10.1371/journal.pone.0216132
- Funding acknowledgements
- DFG, Open Access-Publizieren Universität Mainz / Universitätsmedizin
- File(s) embargoed
- false
- Open access
- true
- ISSN
- 1932-6203
- Ausgabe der Veröffentlichung
- 5
- Zeitschrift
- PLOS ONE
- Schlüsselwörter
- 570 Biowissenschaften
- 570 Life sciences
- Sprache
- eng
- Open access status
- Open Access
- Paginierung
- e0216132
- Datum der Veröffentlichung
- 2019
- Public URL
- https://openscience.ub.uni-mainz.de/handle/20.500.12030/156
- Herausgeber
- PLOS
- Herausgeber URL
- http://dx.doi.org/10.1371/journal.pone.0216132
- Datum der Datenerfassung
- 2019
- Datum, an dem der Datensatz öffentlich gemacht wurde
- 2019
- Zugang
- Public
- Titel
- Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design
- Ausgabe der Zeitschrift
- 14
Files
59109.pdf
Datenquelle: OPENSCIENCE.UB
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