Synthesis, in Silico Studies and Cytotoxicity Evaluation of Novel 1,3,4-Oxadiazole Derivatives Designed as Potential Mpges-1 Inhibitors
dc.contributor.author | Erensoy, Gizem | |
dc.contributor.author | Ding, Kai | |
dc.contributor.author | Zhan, Chang-Guo | |
dc.contributor.author | Elmezayen, Ammar D. | |
dc.contributor.author | Yelekçi, Kemal | |
dc.contributor.author | Duracık, Merve | |
dc.contributor.author | Özakpınar, Özlem Bingol | |
dc.contributor.author | Küçükgüzel, İlkay | |
dc.date.accessioned | 2020-12-12T08:38:31Z | |
dc.date.available | 2020-12-12T08:38:31Z | |
dc.date.issued | 2020 | |
dc.department | Fakülteler, Mühendislik ve Doğa Bilimleri Fakültesi, Biyoinformatik ve Genetik Bölümü | en_US |
dc.description.abstract | A 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.sponsorship | Marmara University | en_US |
dc.identifier.citation | 8 | |
dc.identifier.doi | 10.35333/jrp.2020.187 | en_US |
dc.identifier.endpage | 451 | en_US |
dc.identifier.issn | 2630-6344 | en_US |
dc.identifier.issn | 2630-6344 | |
dc.identifier.issue | 4 | en_US |
dc.identifier.scopus | 2-s2.0-85089855689 | en_US |
dc.identifier.scopusquality | Q3 | |
dc.identifier.startpage | 436 | en_US |
dc.identifier.trdizinid | 362158 | en_US |
dc.identifier.uri | https://hdl.handle.net/20.500.12469/3516 | |
dc.identifier.uri | https://doi.org/10.35333/jrp.2020.187 | |
dc.identifier.uri | https://search.trdizin.gov.tr/yayin/detay/362158 | |
dc.identifier.volume | 24 | en_US |
dc.identifier.wos | WOS:000551828000001 | en_US |
dc.institutionauthor | Elmezayen, Ammar D. | en_US |
dc.institutionauthor | Yelekçi, Kemal | |
dc.language.iso | en | en_US |
dc.publisher | MARMARA UNIV | en_US |
dc.relation.journal | Journal of Research In Pharmacy | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | 1,3,4-Oxadiazoles | en_US |
dc.subject | Thioethers | en_US |
dc.subject | mPGES-1 inhibition | en_US |
dc.subject | COX-1/2 inhibition | en_US |
dc.subject | Anticancer activity | en_US |
dc.subject | Molecular docking | en_US |
dc.subject | ADME prediction | en_US |
dc.title | Synthesis, in Silico Studies and Cytotoxicity Evaluation of Novel 1,3,4-Oxadiazole Derivatives Designed as Potential Mpges-1 Inhibitors | en_US |
dc.type | Article | en_US |
dspace.entity.type | Publication | |
relation.isAuthorOfPublication | 9407938e-3d31-453b-9199-aaa8280a66c5 | |
relation.isAuthorOfPublication.latestForDiscovery | 9407938e-3d31-453b-9199-aaa8280a66c5 |