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Evidence-Based Complementary and Alternative Medicine
Volume 2016, Article ID 4098686, 7 pages
Research Article

Biological Evaluation and Docking Analysis of Daturaolone as Potential Cyclooxygenase Inhibitor

1Department of Geology, University of Swabi, Khyber Pakhtunkhwa, Anbar 23561, Pakistan
2Department of Pharmacy, University of Naples Federico II, 80131 Naples, Italy
3Institute of Chemical Sciences, University of Peshawar, Peshawar 25120, Pakistan
4H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan
5Department of Pharmacy, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan
6Department of Pharmacy, University of Salerno, Fisciano, 84084 Salerno, Italy

Received 1 October 2015; Revised 4 February 2016; Accepted 8 February 2016

Academic Editor: Bamidele Victor Owoyele

Copyright © 2016 Abdur Rauf et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


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.