Synthesis, in Silico Studies and Cytotoxicity Evaluation of Novel 1,3,4-Oxadiazole Derivatives Designed as Potential Mpges-1 Inhibitors
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Date
2020
Authors
Erensoy, Gizem
Ding, Kai
Zhan, Chang-Guo
Elmezayen, Ammar D.
Yelekçi, Kemal
Duracık, Merve
Özakpınar, Özlem Bingol
Küçükgüzel, İlkay
Journal Title
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Volume Title
Publisher
MARMARA UNIV
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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.
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Keywords
1,3,4-Oxadiazoles, Thioethers, mPGES-1 inhibition, COX-1/2 inhibition, Anticancer activity, Molecular docking, ADME prediction
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Fields of Science
Citation
8
WoS Q
Scopus Q
Q3
Source
Volume
24
Issue
4
Start Page
436
End Page
451