Molecular docking of taraxerol acetate as a new COX inhibitor

  • Ubaid Ur Rehman Institute of Chemical Sciences, University of Peshawar, Peshawar 25120
  • Jasmin Shah Institute of Chemical Sciences, University of Peshawar, Peshawar 25120
  • Mudasser Ahmed Khan Institute of Chemical Sciences, University of Peshawar, Peshawar 25120
  • Muhammad Raza Shah HEJ Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270
  • - Ishtiaq Department of Chemistry, Hazara University, Mansehra
  • Inamullah Khan Department of Pharmacy, University of Peshawar, Peshawar, Pakistan 25120
Keywords: COX inhibitor, Molecular docking, Taraxerol acetate

Abstract

Cycloxygenase inhibitors are one of the main class of therapeutic agents for management of inflammation. New COX inhibitors are discovered from natural and synthetic sources. In the current investigation taraxerol acetate have been discovered as a new COX inhibitor. Taraxerol acetate showed considerable inhibitory activity against both COX-1 (IC50: 116.3 ± 0.03 ?M) and COX-2 (IC50: 94.7 ± 0.02 ?M) enzymes using in-vitro enzyme inhibition assay. Molecular docking revealed significant interactions of taraxerol acetate with the important amino acid residues surrounding the inhibitor in binding pocket of COX-2 enzyme. This study indicate potential of taraxerol acetate to be further explored and modified as a new lead compound for better management of inflammatory conditions via targeting COX enzymes.

 

 

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Published
2013-05-02
How to Cite
Rehman, U., J. Shah, M. Khan, M. Shah, - Ishtiaq, and I. Khan. “Molecular Docking of Taraxerol Acetate As a New COX Inhibitor”. Bangladesh Journal of Pharmacology, Vol. 8, no. 2, May 2013, pp. 194-7, doi:10.3329/bjp.v8i2.14167.
Section
Research Articles