Molecular docking of taraxerol acetate as a new COX inhibitor

Authors

  • 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

DOI:

https://doi.org/10.3329/bjp.v8i2.14167

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.

 

 

Downloads

Download data is not yet available.
Abstract
288
Download
255 Read
6

References

Ashraf M, Hayat MQ, Mumtaz AS. A study on elemental contents of medicinally important species of Artemisia L. (Asteraceae) found in Pakistan. J Med Plants Res. 2010; 4: 256-63.

Bicchi C, Rubiolo P, Marschall H, Weyerstahl P, Laurent R. Constituents of Artemisia roxburghiana Besser essential oil. Flavour Fragrance J. 1998; 13: 40-46.

Dua VK, Verma G, Agarwal DD, Kaiser M, Brun R. Antiprotozoal activities of traditional medicinal plants from the Garhwal region of North West Himalaya, India. J Ethnopharmacol. 2011; 136: 123-28.

Khan I, Nisar M, Ebad F, Nadeem S, Saeed M, Khan H, Samiullah, Khuda F, Karim N, Ahmad Z. Anti-inflammatory activities of Sieboldogenin from Smilax china Linn.: Experimental and computational studies. J Ethnopharmacol. 2009; 121: 175-77.

Khan I, Nisar M, Khan N, Saeed M, Nadeem S, Fazal-ur-Rehman, Ali F, Karim N, Kaleem WA, Qayum M, Ahmad H, Khan IA. Structural insights to investigate Conypododiol as a dual cholinesterase inhibitor from Asparagus adscendens. Fitoterapia 2010; 81: 1020-25.

Khan I, Nisar M, Shah MR, Shah H, Gilani SN, Gul F, Abdullah SM, Ismail M, Khan N, Kaleem WA, Qayum M, Khan H, Obaidullah, Samiullah, Ullah M. Anti-inflammatory activities of Taxusabietane A isolated from Taxus wallichiana Zucc. Fitoterapia 201; 82: 1003-07.

Fisher EH, Charbonneau H, Tonks NK. Protein tyrosine phosphatases: A diverse family of intracellular and transmembrane enzymes. Science 1991; 253: 401-06.

Downloads

Additional Files

Published

2013-05-02

How to Cite

Rehman, U. U., J. Shah, M. A. Khan, M. R. 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.

Issue

Vol. 8 No. 2 (2013)

Section

Research Articles

License

Authors who publish with this journal agree to the following terms:

  1. Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
  2. Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
  3. Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access).