Homology modeling and docking study of xanthine oxidase of Arthrobacter sp. XL26.
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.
Bodade
R G
RG
Biochemistry Research Laboratory, School of Life Sciences, Swami Ramanand Teerth Marathawada University, Nanded, Maharashtra 431606, India.
Beedkar
S D
SD
Manwar
A V
AV
Khobragade
C N
CN
D000595:Amino Acid Sequence; D001173:Arthrobacter / Q000201:enzymology*; D020134:Catalytic Domain; D019295:Computational Biology; D004353:Drug Evaluation, Preclinical; D004791:Enzyme Inhibitors / Q000378:metabolism / Q000494:pharmacology; D008958:Models, Molecular; D008969:Molecular Sequence Data; D015203:Reproducibility of Results; D017386:Sequence Homology, Amino Acid; D014969:Xanthine Oxidase / Q000037:antagonists & inhibitors / Q000737:chemistry* / Q000378:metabolism*
D004791:Enzyme Inhibitors; D014969:Xanthine Oxidase