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- Title
Biological Evaluation and Docking Analysis of Daturaolone as Potential Cyclooxygenase Inhibitor.
- Authors
Rauf, Abdur; Maione, Francesco; Uddin, Ghias; Raza, Muslim; Siddiqui, Bina S.; Muhammad, Naveed; Shah, Syed Uzair Ali; Khan, Haroon; De Feo, Vincenzo; Mascolo, Nicola
- 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.
- Subjects
NONSTEROIDAL anti-inflammatory agents; CYCLOOXYGENASE 2; ANIMAL experimentation; BINDING sites; BIOLOGICAL assay; BIOLOGICAL models; CRYSTALLOGRAPHY; DICLOFENAC; DOSE-effect relationship in pharmacology; ENZYMES; MEDICINAL plants; MICE; MOLECULAR structure; NUCLEAR magnetic resonance spectroscopy; PHYTOCHEMICALS; PLANT extracts; IN vitro studies; IN vivo studies; THERAPEUTICS
- Publication
Evidence-based Complementary & Alternative Medicine (eCAM), 2016, Vol 2016, p1
- ISSN
1741-427X
- Publication type
Article
- DOI
10.1155/2016/4098686