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


Erensoy G., Ding K., Zhan C., Elmezayen A., Yelekci K., Duracik M., ...Daha Fazla

Journal of Research in Pharmacy, cilt.24, sa.4, ss.436-451, 2020 (Diğer Kurumların Hakemli Dergileri) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 24 Konu: 4
  • Basım Tarihi: 2020
  • Doi Numarası: 10.35333/jrp.2020.187
  • Dergi Adı: Journal of Research in Pharmacy
  • Sayfa Sayıları: ss.436-451

Özet

© 2020 Marmara University Press.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, 1H-/13C-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 μM. Docking studies with mPGES-1 and COX-1/2 enzymes revealed their affinity and potential binding mechanism for the tested compounds.