2HWR

Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists

Summary for 2HWR

• Entry DOI: 10.2210/pdb2hwr/pdb
• Related: 2hwq
• Descriptor: Peroxisome proliferator-activated receptor gamma, 2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-YL)OXY]-2-METHYLPROPANOIC ACID (3 entities in total)
• Functional Keywords: ppar, ligand binding protein
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus: P37231
• Total number of polymer chains: 2
• Total formula weight: 62543.70

Authors

Peng, Y.H.,Lu, I.L.,Mahindroo, N.,Lin, C.H.,Hsieh, H.P.,Wu, S.Y. (deposition date: 2006-08-01, release date: 2007-08-07, Last modification date: 2023-10-25)

Primary citation

Mahindroo, N.,Peng, Y.H.,Lin, C.H.,Tan, U.K.,Prakash, E.,Lien, T.W.,Lu, I.L.,Lee, H.J.,Hsu, J.T.A.,Chen, X.,Liao, C.C.,Lyu, P.C.,Chao, Y.S.,Wu, S.Y.,Hsieh, H.P.
Structural basis for the structure-activity relationships of peroxisome proliferator-activated receptor agonists
J.Med.Chem., 49:6421-6424, 2006

PubMed Abstract: Type 2 diabetes has rapidly reached an epidemic proportion becoming a major threat to global public health. PPAR agonists have emerged as a leading class of oral antidiabetic drugs. We report a structure biology analysis of novel indole-based PPAR agonists to explain the structure-activity relationships and present a critical analysis of reasons for change in selectivity with change in the orientation of the same scaffolds. The results would be helpful in designing novel PPAR agonists.

PubMed: 17034149
DOI: 10.1021/jm060663c

Experimental method

X-RAY DIFFRACTION (2.34 Å)