Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design

dc.contributor.authorIrsheid, Lina
dc.contributor.authorWehler, Thomas
dc.contributor.authorBorek, Christoph
dc.contributor.authorKiefer, Werner
dc.contributor.authorBrenk, Ruth
dc.contributor.authorOrtiz-Soto, Maria Elena
dc.contributor.authorSeibel, Jürgen
dc.contributor.authorSchirmeister, Tanja
dc.date.accessioned2019-06-17T09:39:55Z
dc.date.available2019-06-17T11:39:55Z
dc.date.issued2019
dc.description.abstractGolgi 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.en_GB
dc.description.sponsorshipDFG, Open Access-Publizieren Universität Mainz / Universitätsmedizin
dc.identifier.doihttp://doi.org/10.25358/openscience-154
dc.identifier.urihttps://openscience.ub.uni-mainz.de/handle/20.500.12030/156
dc.identifier.urnurn:nbn:de:hebis:77-publ-591098
dc.language.isoeng
dc.rightsCC-BY-4.0de_DE
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subject.ddc570 Biowissenschaftende_DE
dc.subject.ddc570 Life sciencesen_GB
dc.titleIdentification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug designen_GB
dc.typeZeitschriftenaufsatzde_DE
jgu.journal.issue5
jgu.journal.titlePLOS ONE
jgu.journal.volume14
jgu.organisation.departmentFB 04 Medizin
jgu.organisation.departmentFB 09 Chemie, Pharmazie u. Geowissensch.
jgu.organisation.nameJohannes Gutenberg-Universität Mainz
jgu.organisation.number2700
jgu.organisation.number7950
jgu.organisation.placeMainz
jgu.organisation.rorhttps://ror.org/023b0x485
jgu.pages.alternativee0216132
jgu.publisher.doi10.1371/journal.pone.0216132
jgu.publisher.issn1932-6203
jgu.publisher.namePLOS
jgu.publisher.placeSan Francisco, California, US
jgu.publisher.urihttp://dx.doi.org/10.1371/journal.pone.0216132
jgu.publisher.year2019
jgu.rights.accessrightsopenAccess
jgu.subject.ddccode570
jgu.type.dinitypeArticle
jgu.type.resourceText
jgu.type.versionPublished versionen_GB
opus.affiliatedIrsheid, Lina
opus.affiliatedWehler, Thomas
opus.affiliatedBorek, Christoph
opus.affiliatedKiefer, Werner
opus.affiliatedSchirmeister, Tanja
opus.date.accessioned2019-06-17T09:39:55Z
opus.date.available2019-06-17T11:39:55
opus.date.modified2019-06-17T09:47:47Z
opus.identifier.opusid59109
opus.institute.number0910
opus.institute.number0427
opus.metadataonlyfalse
opus.organisation.stringFB 09: Chemie, Pharmazie und Geowissenschaften: Institut für Pharmazie und Biochemiede_DE
opus.organisation.stringFB 04: Medizin: III. Medizinische Klinik und Poliklinikde_DE
opus.subject.dfgcode00-000
opus.type.contenttypeKeinede_DE
opus.type.contenttypeNoneen_GB

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