Conformational Analysis and Docking Study of PPAR-γ Agonists Having Substituted Pyrrolidine Containing Thiazolidine-2,4-Dione Moiety

被引：0
作者：
Sonawane, Lalit V. [1 ]
Poul, Bhagwat N. [1 ]
Bari, Sanjaykumar B. [2 ]
机构：
[1] Maharashtra Coll Pharm, Nilanga 413521, Maharashtra, India
[2] HR Patel Inst Pharmaceut Educ & Res, Shirpur 425405, Maharashtra, India
来源：
LATIN AMERICAN JOURNAL OF PHARMACY | 2014年 / 33卷 / 09期
关键词：
Antidiabetic agents; LBD; Molecular docking; PPAR-gamma; Thiazolidinedione; ACTIVATED RECEPTOR-GAMMA; LIGAND-BINDING; ANTIHYPERGLYCEMIC ACTIVITY; CRYSTAL-STRUCTURE; GENE-EXPRESSION; FATTY-ACIDS; THIAZOLIDINEDIONE; REGULATOR; ALPHA;
D O I：
暂无
中图分类号：
R9 [药学];
学科分类号：
1007 ;
摘要：
Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. Conformational analysis and docking study of erythrose, ribose and substituted pyrrolidine having thiazolidine-2,4-dione moiety against peroxisome proliferator-activated receptor gamma (PPAR-gamma) was carried our in an attempt to analyze stable conformer. Next, a docking study of these agonists into the ligand binding domain (LBD) of PPAR-gamma was performed, which reveal hydrogen bond formation to Ser289, Hie323 and Tyr473. This study will bring useful information for further development in the area of design and development of novel PPAR-gamma agonists.
引用
收藏
页码：1413 / 1417
页数：5
相关论文
共 32 条
  • [1] [Anonymous], 2007, PROT PREP WIZ
  • [2] [Anonymous], MACROMODEL VERS 9 5
  • [3] [Anonymous], 2007, GLID V4 5
  • [4] [Anonymous], 2007, MAESTR V8 0 MOL MOD
  • [5] The mechanisms of action of PPARs
    Berger, J
    Moller, DE
    [J]. ANNUAL REVIEW OF MEDICINE, 2002, 53 : 409 - 435
  • [6] Berger Joel, 2002, Diabetes Technol Ther, V4, P163, DOI 10.1089/15209150260007381
  • [7] CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS
    BROOKS, BR
    BRUCCOLERI, RE
    OLAFSON, BD
    STATES, DJ
    SWAMINATHAN, S
    KARPLUS, M
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) : 187 - 217
  • [8] Thiazolidinediones: a new class of antidiabetic drugs
    Day, C
    [J]. DIABETIC MEDICINE, 1999, 16 (03) : 179 - 192
  • [9] 15-DEOXY-DELTA(12,14)-PROSTAGLANDIN J(2) IS A LIGAND FOR THE ADIPOCYTE DETERMINATION FACTOR PPAR-GAMMA
    FORMAN, BM
    TONTONOZ, P
    CHEN, J
    BRUN, RP
    SPIEGELMAN, BM
    EVANS, RM
    [J]. CELL, 1995, 83 (05) : 803 - 812
  • [10] Asymmetry in the PPARγ/RXRα crystal structure reveals the molecular basis of heterodimerization among nuclear receptors
    Gampe, RT
    Montana, VG
    Lambert, MH
    Miller, AB
    Bledsoe, RK
    Milburn, MV
    Kliewer, SA
    Willson, TM
    Xu, HE
    [J]. MOLECULAR CELL, 2000, 5 (03) : 545 - 555
1234