Design and synthesis of methoxyphenyl- and coumarin-based chalcone derivatives as anti-inflammatory agents by inhibition of NO production and down-regulation of NF-κB in LPS-induced RAW264.7 macrophage cells

Bioorg Chem. 2021 Feb:107:104630. doi: 10.1016/j.bioorg.2021.104630. Epub 2021 Jan 7.

Abstract

Exaggerated inflammatory responses may cause serious and debilitating diseases such as acute lung injury and rheumatoid arthritis. Two series of chalcone derivatives were prepared as anti-inflammatory agents. Methoxylated phenyl-based chalcones 2a-l and coumarin-based chalcones 3a-f were synthesized and compared for their inhibition of COX-2 enzyme and nitric oxide production suppression. Methoxylated phenyl-based chalcones showed better inhibition to COX-2 enzyme and nitric oxide suppression than the coumarin-based chalcones. Among the 18 synthesized chalcone derivatives, compound 2f exhibited the highest anti-inflammatory activity by inhibition of nitric oxide concentration in LPS-induced RAW264.7 macrophages (IC50 = 11.2 μM). The tested compound 2f showed suppression of iNOS and COX-2 enzymes. Moreover, compound 2f decreases in the expression of NF-κB and phosphorylated IκB in LPS-stimulated macrophages. Finally, docking studies suggested the inhibition of IKKβ as a mechanism of action and highlighted the importance of 2f hydrophobic interactions.

Keywords: Anti-inflammatory; Chalcones; LPS-induced RAW264.7 macrophages; Molecular docking; Nitric oxide inhibition; Nuclear factor kappa B.

MeSH terms

  • Animals
  • Anti-Inflammatory Agents / chemical synthesis
  • Anti-Inflammatory Agents / metabolism
  • Anti-Inflammatory Agents / pharmacology*
  • Binding Sites
  • Catalytic Domain
  • Cell Survival / drug effects
  • Chalcones / chemistry*
  • Chalcones / metabolism
  • Chalcones / pharmacology
  • Coumarins / chemistry*
  • Cyclooxygenase 2 / chemistry
  • Cyclooxygenase 2 / genetics
  • Cyclooxygenase 2 / metabolism
  • Cyclooxygenase 2 Inhibitors / chemical synthesis
  • Cyclooxygenase 2 Inhibitors / metabolism
  • Cyclooxygenase 2 Inhibitors / pharmacology
  • Down-Regulation / drug effects*
  • Drug Design*
  • Lipopolysaccharides / pharmacology
  • Macrophages / cytology
  • Macrophages / drug effects
  • Macrophages / metabolism
  • Mice
  • Molecular Docking Simulation
  • NF-kappa B / metabolism
  • Nitric Oxide / metabolism*
  • Nitric Oxide Synthase Type II / genetics
  • Nitric Oxide Synthase Type II / metabolism
  • RAW 264.7 Cells

Substances

  • Anti-Inflammatory Agents
  • Chalcones
  • Coumarins
  • Cyclooxygenase 2 Inhibitors
  • Lipopolysaccharides
  • NF-kappa B
  • Nitric Oxide
  • Nitric Oxide Synthase Type II
  • Cyclooxygenase 2