Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design
dc.contributor.author | Irsheid, Lina | |
dc.contributor.author | Wehler, Thomas | |
dc.contributor.author | Borek, Christoph | |
dc.contributor.author | Kiefer, Werner | |
dc.contributor.author | Brenk, Ruth | |
dc.contributor.author | Ortiz-Soto, Maria Elena | |
dc.contributor.author | Seibel, Jürgen | |
dc.contributor.author | Schirmeister, Tanja | |
dc.date.accessioned | 2019-06-17T09:39:55Z | |
dc.date.available | 2019-06-17T11:39:55Z | |
dc.date.issued | 2019 | |
dc.description.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. | en_GB |
dc.description.sponsorship | DFG, Open Access-Publizieren Universität Mainz / Universitätsmedizin | |
dc.identifier.doi | http://doi.org/10.25358/openscience-154 | |
dc.identifier.uri | https://openscience.ub.uni-mainz.de/handle/20.500.12030/156 | |
dc.identifier.urn | urn:nbn:de:hebis:77-publ-591098 | |
dc.language.iso | eng | |
dc.rights | CC-BY-4.0 | de_DE |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.subject.ddc | 570 Biowissenschaften | de_DE |
dc.subject.ddc | 570 Life sciences | en_GB |
dc.title | Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design | en_GB |
dc.type | Zeitschriftenaufsatz | de_DE |
jgu.journal.issue | 5 | |
jgu.journal.title | PLOS ONE | |
jgu.journal.volume | 14 | |
jgu.organisation.department | FB 04 Medizin | |
jgu.organisation.department | FB 09 Chemie, Pharmazie u. Geowissensch. | |
jgu.organisation.name | Johannes Gutenberg-Universität Mainz | |
jgu.organisation.number | 2700 | |
jgu.organisation.number | 7950 | |
jgu.organisation.place | Mainz | |
jgu.organisation.ror | https://ror.org/023b0x485 | |
jgu.pages.alternative | e0216132 | |
jgu.publisher.doi | 10.1371/journal.pone.0216132 | |
jgu.publisher.issn | 1932-6203 | |
jgu.publisher.name | PLOS | |
jgu.publisher.place | San Francisco, California, US | |
jgu.publisher.uri | http://dx.doi.org/10.1371/journal.pone.0216132 | |
jgu.publisher.year | 2019 | |
jgu.rights.accessrights | openAccess | |
jgu.subject.ddccode | 570 | |
jgu.type.dinitype | Article | |
jgu.type.resource | Text | |
jgu.type.version | Published version | en_GB |
opus.affiliated | Irsheid, Lina | |
opus.affiliated | Wehler, Thomas | |
opus.affiliated | Borek, Christoph | |
opus.affiliated | Kiefer, Werner | |
opus.affiliated | Schirmeister, Tanja | |
opus.date.accessioned | 2019-06-17T09:39:55Z | |
opus.date.available | 2019-06-17T11:39:55 | |
opus.date.modified | 2019-06-17T09:47:47Z | |
opus.identifier.opusid | 59109 | |
opus.institute.number | 0910 | |
opus.institute.number | 0427 | |
opus.metadataonly | false | |
opus.organisation.string | FB 09: Chemie, Pharmazie und Geowissenschaften: Institut für Pharmazie und Biochemie | de_DE |
opus.organisation.string | FB 04: Medizin: III. Medizinische Klinik und Poliklinik | de_DE |
opus.subject.dfgcode | 00-000 | |
opus.type.contenttype | Keine | de_DE |
opus.type.contenttype | None | en_GB |
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