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note
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Docking and subsequent scoring were performed using Macromodel 8.1 software. Coordinates of PPARγ complexed with rosiglitazone were taken from the Brookhaven Protein Data Bank (PDB code 1FM6) and hydrogen atoms were added computationally at appropriate positions. The structure of a ligand bound to PPARγ was constructed by molecular mechanics (MM) energy minimization. The starting position of a ligand was determined manually: its carboxyl group was superimposed onto the TZD ring of crystallographic rosiglitazone. The conformation of the ligand in the active site was minimized by a MM calculation based upon the OPLS-AA force field with each parameter set as follows; solvent: water, method: LBFGS, Max # Iterations: 10,000, converge on: gradient, convergence threshold: 0.05
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85030812296
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note
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TM multilabelcounter (PerkinElmer, Boston, MA, U.S.A.) after staining with lipidos liquid (TOYOBO. Co., Ltd, Osaka, Japan)
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