Quantitative structure-activity relationship (QSAR) analysis for a series of rodent peroxisome proliferators: Interaction with the mouse liver peroxisome proliferator-activated receptor alpha (mPPARalpha).
The results of quantitative structure-activity relationship (QSAR) analysis on a structurally diverse group of peroxisome proliferators are reported. The relative potencies of 11 peroxisome proliferators (with respect to clonbric acid) for induction of palmitoyl-CoA oxidation in rat hepatocyte cultures appear to be determined by a combination of lipophilicity (logP descriptor) and calculated binding affinity (logK) to a model of the mouse liver peroxisome proliferator-activated receptor alpha (mPPARalpha) ligand-binding domain. It is possible that desolvation of the putative binding site and ligand ionization may also play a role in activation of the mPPARalpha.
Lewis
D F
DF
School of Biological Sciences, University of Surrey, Guildford, Surrey GU2 5XH, UK.
Lake
B G
BG