Design of potent PPARalpha agonists

Design of potent PPARalpha agonists

Computational analysis of the ligand binding pocket of the three PPAR receptor subtypes was utilized in the design of potent PPARalpha agonists. Optimum PPARalpha potency and selectivity were obtained with substituents having van der Waals volume around 260. Compound 6 had a PPARalpha potency of 0.0...

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Veröffentlicht in:Bioorganic & medicinal chemistry letters 2007-06, Vol.17 (11), p.3198-3202
Hauptverfasser: Sauerberg, Per, Mogensen, John P, Jeppesen, Lone, Bury, Paul S, Fleckner, Jan, Olsen, Grith S, Jeppesen, Claus B, Wulff, Erik M, Pihera, Pavel, Havranek, Miroslav, Polivka, Zdenek, Pettersson, Ingrid
Format: Artikel
Sprache:eng
Schlagworte:
Animals
Computers
Crystallography
Drug Design
Ligands
Phenylpropionates - chemical synthesis
Phenylpropionates - chemistry
Phenylpropionates - pharmacology
PPAR alpha - agonists
PPAR alpha - chemistry
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Zusammenfassung:Computational analysis of the ligand binding pocket of the three PPAR receptor subtypes was utilized in the design of potent PPARalpha agonists. Optimum PPARalpha potency and selectivity were obtained with substituents having van der Waals volume around 260. Compound 6 had a PPARalpha potency of 0.002 microM and a selectivity ratio to PPARgamma and PPARdelta of 410 and 2000, respectively.
ISSN:0960-894X