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Volumn 15, Issue 6, 2005, Pages 1547-1551

Design, synthesis, and biological activity of novel PPARγ ligands based on rosiglitazone and 15d-PGJ2

Author keywords

15d PGJ2; Agonist; Insulin sensitizer; PPAR ligand

Indexed keywords

PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA; PROPIONIC ACID DERIVATIVE; ROSIGLITAZONE;

EID: 20044388313     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2005.01.074     Document Type: Article
Times cited : (30)

References (22)
  • 18
    • 85030805916 scopus 로고    scopus 로고
    • note
    • 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
  • 22
    • 85030812296 scopus 로고    scopus 로고
    • note
    • TM multilabelcounter (PerkinElmer, Boston, MA, U.S.A.) after staining with lipidos liquid (TOYOBO. Co., Ltd, Osaka, Japan)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.