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Docking studies of Febuxostat by using Moldock software.

Author(s)
Sadaf Naeem Biophysics Research Unit, Department of Biochemistry, University of Karachi, Karachi –75270, Pakistan
Uzma Asif Biophysics Research Unit, Department of Biochemistry, University of Karachi, Karachi –75270, Pakistan
Asif Khan Sherwani Biophysics Research Unit, Department of Biochemistry, University of Karachi, Karachi –75270, Pakistan
Khalida Bano Biophysics Research Unit, Department of Biochemistry, University of Karachi, Karachi –75270, Pakistan
M. Harris Shoaib Department of Pharmaceutics, Faculty of Pharmacy, University of Karachi, Karachi –75270, Pakistan
Naheed Akhtar Biophysics Research Unit, Department of Biochemistry, University of Karachi, Karachi –75270, Pakistan
Abstract
Febuxostat is a selective, novel, non-purine analog xanthine oxidase (XO) inhibitor for the treatment of chronic hyperuricemia in patients with gout. This enzyme is involved in oxidation of Hypoxanthine and Xanthine to uric acid and the compounds that inhibits the action of xanthine oxidase enzyme helps in lowering the production of uric acid in the body. In this study, molecular docking of Febuxostat has been performed against XO (PDB ID: 3NVY) by using Moldock software and found that the amino acids Glu802, Ala1079 and 880 in the active site of XO are involved in the hydrogen bond formation with Febuxostat. The best conformation of this compound is reported here in which it is active as XO inhibitor and lower the production of Uric acid in body effectively and thus be used for the treatment of Gout.
Publication Details
Page(s) 367-371
DOI DOI not available
Published Journal: International Journal of Biology and Biotechnology, Volume: 9, Issue: 4, Year: 2012

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