Synthesis, in silico studies and cytotoxicity evaluation of novel 1,3,4-oxadiazole derivatives designed as potential mPGES-1 inhibitors

dc.contributor.authorYelekçi, Kemal
dc.contributor.authorDing, Kai
dc.contributor.authorZhan, Chang-Guo
dc.contributor.authorElmezayen, Ammar D.
dc.contributor.authorYelekçi, Kemal
dc.contributor.authorDuracık, Merve
dc.contributor.authorÖzakpınar, Özlem Bingol
dc.contributor.authorKüçükgüzel, İlkay
dc.date.accessioned2020-12-12T08:38:31Z
dc.date.available2020-12-12T08:38:31Z
dc.date.issued2020
dc.departmentFakülteler, Mühendislik ve Doğa Bilimleri Fakültesi, Biyoinformatik ve Genetik Bölümüen_US
dc.description.abstractA series of new 1,3,4-oxadizole derivatives containing thioether group, has been synthesized to investigate their mPGES-1 inhibitory activities. The synthesized compounds were also evaluated for their anticancer and COX-1/2 inhibitory activities. All compounds were checked for their purity using TLC and HPLC analyses. The melting points, elemental analysis, FT-IR, H-1-/C-13-NMR and LR-MS data were utilized for structural characterization. The most potent derivative was 2-[5-{[2-methyl-5-(propan-2-yl)phenoxy]methyl}-1,3,4-oxadiazol-2-yl)sulphanyl]-1-(phenyl)ethan-1-one 3a, which showed inhibitory activity against mPGES-1 with an IC50 of 4.95 mu M. Docking studies with mPGES-1 and COX-1/2 enzymes revealed their affinity and potential binding mechanism for the tested compounds.en_US
dc.description.sponsorshipMarmara Universityen_US
dc.identifier.citation8
dc.identifier.doi10.35333/jrp.2020.187en_US
dc.identifier.endpage451en_US
dc.identifier.issn2630-6344en_US
dc.identifier.issn2630-6344
dc.identifier.issue4en_US
dc.identifier.scopus2-s2.0-85089855689en_US
dc.identifier.scopusqualityQ3
dc.identifier.startpage436en_US
dc.identifier.trdizinid362158en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12469/3516
dc.identifier.urihttps://doi.org/10.35333/jrp.2020.187
dc.identifier.urihttps://search.trdizin.gov.tr/yayin/detay/362158
dc.identifier.volume24en_US
dc.identifier.wosWOS:000551828000001en_US
dc.identifier.wosqualityN/A
dc.institutionauthorElmezayen, Ammar D.en_US
dc.institutionauthorYelekçi, Kemalen_US
dc.language.isoenen_US
dc.publisherMARMARA UNIVen_US
dc.relation.journalJournal of Research In Pharmacyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subject1,3,4-Oxadiazolesen_US
dc.subjectThioethersen_US
dc.subjectmPGES-1 inhibitionen_US
dc.subjectCOX-1/2 inhibitionen_US
dc.subjectAnticancer activityen_US
dc.subjectMolecular dockingen_US
dc.subjectADME predictionen_US
dc.titleSynthesis, in silico studies and cytotoxicity evaluation of novel 1,3,4-oxadiazole derivatives designed as potential mPGES-1 inhibitorsen_US
dc.typeArticleen_US
dspace.entity.typePublication
relation.isAuthorOfPublication9407938e-3d31-453b-9199-aaa8280a66c5
relation.isAuthorOfPublication.latestForDiscovery9407938e-3d31-453b-9199-aaa8280a66c5

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