Synthesis, anti-inflammatory activity and modeling studies of cycloartane-type terpenes derivatives isolated from Parthenium argentatum

Bioorg Med Chem. 2014 Dec 15;22(24):6893-8. doi: 10.1016/j.bmc.2014.10.028. Epub 2014 Oct 25.

Abstract

The 12-O-tetradecanoylphorbol-13-acetate (TPA)-induced edema model in mice determined the anti-inflammatory activities in vivo of argentatins A, B and D, the main cycloartenol-type triterpenes present in Parthenium argentatum. Our results showed that argentatin B (ED50=1.5×10(-4)mmol/ear) and argentatin A (ED50=2.8×10(-4)mmol/ear) were more potent anti-inflammatory agents than indomethacin (ED50=4.5×10(-4)mmol/ear), the reference drug. Based on these findings, we decided to evaluate 13 derivatives of argentatins A and B. All the derivatives showed anti-inflammatory activity in the TPA-induced edema model in mice. The most active compound was 25-nor-cycloart-3, 16-dione-17-en-24-oic acid, obtained from argentatin A (ED50=1.4×10(-4)mmol/ear). Argentatin B was assayed as inhibitor of COX-2 activity one of the key enzymes involved in the TPA assay. The results showed that argentatin B at 15μM doses inhibited 77% COX-2 activity. Docking studies suggest that argentatin B interacts with Arg 120, a key residue for COX-2 activity.

Keywords: Anti-inflammatory activity; Argentatins; Cycloartanes; Docking; TPA-induced mice model; Triterpenes.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Anti-Inflammatory Agents / chemical synthesis*
  • Anti-Inflammatory Agents / pharmacology
  • Anti-Inflammatory Agents / therapeutic use
  • Asteraceae / chemistry*
  • Asteraceae / metabolism
  • Binding Sites
  • Cell Line
  • Cell Survival / drug effects
  • Cyclooxygenase 2 / chemistry
  • Cyclooxygenase 2 / metabolism
  • Cyclooxygenase 2 Inhibitors / chemistry
  • Cyclooxygenase 2 Inhibitors / metabolism
  • Edema / chemically induced
  • Edema / drug therapy
  • Macrophages / cytology
  • Macrophages / drug effects
  • Macrophages / metabolism
  • Male
  • Mice
  • Molecular Docking Simulation
  • Nitric Oxide / metabolism
  • Protein Structure, Tertiary
  • Terpenes / chemistry*
  • Terpenes / isolation & purification
  • Terpenes / therapeutic use
  • Tetradecanoylphorbol Acetate / toxicity
  • Triterpenes / chemistry
  • Triterpenes / isolation & purification
  • Triterpenes / therapeutic use

Substances

  • Anti-Inflammatory Agents
  • Cyclooxygenase 2 Inhibitors
  • Terpenes
  • Triterpenes
  • argentatin B
  • argentatin A
  • Nitric Oxide
  • cycloartane
  • Cyclooxygenase 2
  • Tetradecanoylphorbol Acetate