Biological Evaluation and Docking Analysis of Daturaolone as Potential Cyclooxygenase Inhibitor

Abstract EN

This study deals with the isolation of the active constituent(s) from a methanolic extract of Pistacia integerrima J.

L.

Stewart barks and it was also oriented to evaluate the in vivo and in silico anti-inflammatory activity.

By NMR and crystallography techniques, we have isolated a triterpenoid identified as daturaolone (compound 1).

This compound showed in vivo a significant and dose dependent (1–30 mg/kg) anti-inflammatory activity on carrageenan-induced mouse paw oedema (ED50 = 10.1 mg/kg) and on acetic acid-induced writhing responses in mice (ED50 = 13.8 mg/kg).

In the in vivo experiments, the effect of tested compound was also evaluated in presence of the reference drug diclofenac (1–30 mg/kg).

Moreover, in silico analysis of receptor ligand complex shows that compound 1 interacts with cyclooxygenases (COXs) binding sites displaying an interesting interaction with COX-1.

These findings suggest that compound 1 isolated from P.

integerrima possesses in vivo anti-inflammatory and antinociceptive potentials, which are supported in silico by an interaction with COXs receptors.