Biological Evaluation and Docking Analysis of Daturaolone as Potential Cyclooxygenase Inhibitor

  • Evid Based Complement Alternat Med. 2016;2016:4098686. doi: 10.1155/2016/4098686.
Abdur Rauf  1 ,  Francesco Maione  2 ,  Ghias Uddin  3 ,  Muslim Raza  3 ,  Bina S Siddiqui  4 ,  Naveed Muhammad  5 ,  Syed Uzair Ali Shah  4 ,  Haroon Khan  5 ,  Vincenzo De Feo  6 ,  Nicola Mascolo  2
Affiliations
  • 1. Department of Geology, University of Swabi, Khyber Pakhtunkhwa, Anbar 23561, Pakistan.
  • 2. Department of Pharmacy, University of Naples Federico II, 80131 Naples, Italy.
  • 3. Institute of Chemical Sciences, University of Peshawar, Peshawar 25120, Pakistan.
  • 4. H.E.J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan.
  • 5. Department of Pharmacy, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.
  • 6. Department of Pharmacy, University of Salerno, Fisciano, 84084 Salerno, Italy.
PMID: 27042189 DOI: 10.1155/2016/4098686
Abstract

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.

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