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Design, synthesis and docking study of novel coumarin ligands as potential selective acetylcholinesterase inhibitors

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dc.contributor.authorSonmez, Fatih
dc.contributor.authorKURT, Belma Zengin
dc.contributor.authorGazioglu, IŞIL
dc.contributor.authorBASILE, Livia
dc.contributor.authorDag, AYDAN
dc.contributor.authorCAPPELLO, Valentina
dc.contributor.authorGINEX, Tiziana
dc.contributor.authorKucukislamoglu, Mustafa
dc.contributor.authorGUCCIONE, Salvatore
dc.contributor.institutionauthorZENGİN KURT, BELMA
dc.contributor.institutionauthorGAZİOĞLU, IŞIL
dc.contributor.institutionauthorDAĞ, AYDAN
dc.date.accessioned2019-10-05T13:40:25Z
dc.date.available2019-10-05T13:40:25Z
dc.date.issued2017-01-01
dc.description.abstractNew coumaryl-thiazole derivatives with the acetamide moiety as a linker between the alkyl chains and/or the heterocycle nucleus were synthesized and in vitro tested as acetylcholinesterase (AChE) inhibitors. 2-(diethylamino)-N-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acetamide (6c, IC50 value of 43 nM) was the best AChE inhibitor with a selectivity index of 4151.16 over BuChE. Kinetic study of AChE inhibition revealed that 6c was a mixed-type inhibitor. Moreover, the result of H4IIE hepatoma cell toxicity assay for 6c showed negligible cell death. Molecular docking studies were also carried out to clarify the inhibition mode of the more active compounds. Best pose of compound 6c is positioned into the active site with the coumarin ring wedged between the residues of the CAS and catalytic triad of AChE. In addition, the coumarin ring is anchored into the gorge of the enzyme by H-bond with Tyr130.en
dc.identifier10.1515/jpem-2014-0490
dc.identifier.citationSonmez F., KURT B. Z. , Gazioglu I., BASILE L., Dag A., CAPPELLO V., GINEX T., Kucukislamoglu M., GUCCIONE S., -Design, synthesis and docking study of novel coumarin ligands as potential selective acetylcholinesterase inhibitors-, JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, cilt.32, ss.285-297, 2017
dc.identifier.doi10.1080/14756366.2016.1250753
dc.identifier.pubmed28097911
dc.identifier.scopus85015593015
dc.identifier.urihttps://hdl.handle.net/20.500.12645/2691
dc.identifier.wosWOS:000392591100022
dc.language.isoen
dc.rightsinfo:eu-repo/semantics/openAccessen
dc.titleDesign, synthesis and docking study of novel coumarin ligands as potential selective acetylcholinesterase inhibitors
dc.typeArticle
dspace.entity.typePublication
local.article.journalnameJOURNAL OF PEDIATRIC ENDOCRINOLOGY & METABOLISM
local.avesis.id41d036b3-8e69-4f79-8b06-668cecb367bb
local.avesis.response2561
local.publication.isinternational1
relation.isAuthorOfPublication3fd265b5-fdd8-4c56-949b-deb0303c3db7
relation.isAuthorOfPublication336380d2-70ee-496d-a002-08059f9da500
relation.isAuthorOfPublication5053fdfd-57cd-423a-9076-db4bab8cbe3d
relation.isAuthorOfPublication.latestForDiscovery336380d2-70ee-496d-a002-08059f9da500
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