3FEJ

Design and biological evaluation of novel, balanced dual PPARa/g agonists

Summary for 3FEJ

• Entry DOI: 10.2210/pdb3fej/pdb
• Related: 3FEI
• Descriptor: Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1, (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, ... (4 entities in total)
• Functional Keywords: nuclear recpetor, transcription factor, diabetes, activator, alternative splicing, diabetes mellitus, disease mutation, dna-binding, metal-binding, nucleus, obesity, phosphoprotein, polymorphism, receptor, transcription, transcription regulation, zinc, zinc-finger
• Biological source: Homo sapiens (human); More
• Cellular location: Nucleus: P37231; Nucleus (By similarity): Q15788
• Total number of polymer chains: 2
• Total formula weight: 32900.65

Authors

Benz, J.,Grether, U.,Gsell, B.,Binggeli, A.,Hilpert, H.,Kuhn, B.,Maerki, H.P.,Mohr, P.,Ruf, A.,Stihle, M. (deposition date: 2008-11-30, release date: 2009-10-20, Last modification date: 2023-12-27)

Primary citation

Grether, U.,Benardeau, A.,Benz, J.,Binggeli, A.,Blum, D.,Hilpert, H.,Kuhn, B.,Maerki, H.P.,Meyer, M.,Mohr, P.,Puntener, K.,Raab, S.,Ruf, A.,Schlatter, D.
Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4:951-956, 2009

PubMed Abstract: An X-ray-guided design approach led to the identification of a novel, balanced class of alpha-ethoxy-phenylpropionic acid-derived dual PPARalpha/gamma agonists. The series shows a wide range of PPARalpha/gamma ratios within a rather narrow structural space. Advanced compounds possess favorable physicochemical and pharmacokinetic profiles and show a high efficacy in T2D and dyslipidemia animal models.

PubMed: 19326383
DOI: 10.1002/cmdc.200800425

Experimental method

X-RAY DIFFRACTION (2.01 Å)