Design, synthesis and molecular docking studies of some 1-(5-(2-fluoro-5-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-3-yl)piperazine derivatives as potential anti-inflammatory agents

Mol Divers. 2022 Oct;26(5):2893-2905. doi: 10.1007/s11030-021-10340-1. Epub 2021 Nov 24.

Abstract

We herein report the facile synthesis of a series of 3,5-substituted-1,2,4-oxadiazole derivatives in good to excellent yields. The anti-inflammatory potential of the newly synthesized compounds was evaluated by anti-denaturation assay using diclofenac sodium as the reference standard. Some of the compounds exhibited profound activity profile when compared to the standard drug. The molecular docking and SAR studies were carried out at the later stage for gaining more insights about the promising activity profile of the synthesized molecules.

Keywords: Anti-inflammatory activity; Molecular docking; Oxadiazole; SAR.

MeSH terms

  • Anti-Inflammatory Agents* / pharmacology
  • Diclofenac* / pharmacology
  • Molecular Docking Simulation
  • Molecular Structure
  • Oxadiazoles / pharmacology
  • Piperazines
  • Structure-Activity Relationship

Substances

  • Anti-Inflammatory Agents
  • Oxadiazoles
  • Piperazines
  • Diclofenac