Homology modeling and docking study of xanthine oxidase of Arthrobacter sp. XL26
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- 作者：R.G. Bodade ; S.D. Beedkar ; A.V. Manwar ; C.N. Khobragade
- 关键词：Homology modeling ; Arthrobacter sp. XL26 XO (xodB protein) ; Docking
- 刊名：International Journal of Biological Macromolecules
- 出版年：2010
- 出版时间：1 August 2010
- 年：2010
- 卷：47
- 期：2
- 页码：298-303
- 全文大小：1075 K
文摘
Hyperuricemia is a condition of defective purine metabolism characterized with elevated serum uric acid (UA) level that further leads to gout and gouty nephrolithiasis disorders. Gout is a world wide distributed rheumatic disease comprises 1 % of the total population and still is in increasing state. One of the factors contributing to overproduction of UA is the hydroxylation of xanthine catalyzed by xanthine oxidase (XO). In the present study, 3D modeling of Arthrobacter sp. XL26 (xodB) protein was performed by comparative modeling approach using Rhodobacter capsulatus XDH (PDB ID: 2W3sF) as template in SWISS-MODEL, Geno3D and MODELLER program server. The best model was selected based on overall stereochemical quality (Procheck, PROSA, GenThreader), energy minimized, refined and used for active site characterization in BioMed CAChe workspace. The enzyme–inhibitor interaction was studied by docking to screen the possible inhibitors and application of model in design and development of anti-gout agents.