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tip of the treated mice and allowed to clot at room temperature.
After clotting, the blood sample was centrifuged at 7000Âg for
10 min to collect the serum. Serum was collected in separate tubes
and treated with an equivalent volume of perchloric acid (0.1 mM).
Different serum samples were then vortexed and centrifuged again
at 2000Âg for 5 min to precipitate out undesired proteins. Super-
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buffer (50 mM dihydrogen potassium phosphate, pH 4.0) and fil-
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for the HPLC assay.26 A model 10A high-performance liquid chro-
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photometric detector set at 293 nm was used. The quantitative
HPLC separations were performed at 25 °C on a Waters C-18 re-
versed-phase column (250 Â 4.60 mm, 5
lm particle size). The
injection volume was 10 l, the mobile phase employed consisted
l
of 90% dihydrogen potassium phosphate buffer (50 mM, pH 4) and
10% acetonitrile. The flow rate was 0.4 mL/min and the absorbance
detector was set at 293 nm.
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The coordinates of bovine milk XO complexed with salicylic
acid were obtained from protein data bank (PDB entry: 1fiq).29
The ligands were drawn in ChemDraw and subjected to energy
minimization in the MOPAC module, using the AM1 procedure
for closed shell systems, implemented in the CS Chem3D Ultra.32
The ligands were docked in to the active site of XO using the GOLD
4.0.1 (Cambridge Crystallographic Data Center, Cambridge, UK)28
Gold performs genetic algorithm based ligand docking to optimize
the conformation of ligand at the receptor binding site. It utilizes
GoldScore fitness function to evaluate the various conformations
of ligand at the binding site and comprises four components: pro-
tein–ligand hydrogen bond energy, protein–ligand van der Waals
(vdw) energy, ligand internal vdw energy, and ligand torsional
strain energy. Each isomer was docked 10 times and each pose
was ranked according to its GoldScore fitness function. The confor-
mations with highest score were selected for discussion.33
ꢀ
23. Protic/Brønsted acids: (a) Das, B.; Reddy, K. R.; Srinivas, Y.; Kumar, R. A. Can. J.
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Acknowledgment
We thank Mr. Parveen Garg, Chairman of the College for making
facilities available for the present research work.
Supplementary data
24. (a) Garg, S. K.; Kumar, R.; Chakraborti, A. K. Synlett 2005, 1370; (b) Kumar, R.;
Thilagavathi, R.; Gulhane, R.; Chakraborti, A. K. J. Mol. Catal. A: Chem. 2006, 250,
227; (c) Shivani Pujala, B.; Chakraborti, A. K. J. Org. Chem. 2007, 72, 3713; (d)
Dalpozzo, R.; Bartoli, G.; Sambri, L.; Melchiorre, P. Chem. Rev. 2010, 110, 3501.
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829; (b) Takano, Y.; Hase-Aoki, K.; Horiuchi, H.; Zhao, L.; Kasahara, Y.; Kondo,
S.; Becker, M. A. Life Sci. 2005, 76, 1835.
Supplementary data associated with this article can be found, in
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