QSAR Analysis of Amphipathic 3-Phenyl-7-propyl-benzisooxazoles as PPARγ, PPARδ and PPARαAgonist

Abstract

A quantitative structural activity relationship (QSAR)   study on a series of analogs of amphipathic 3-phenyl-7-   propylbenzisooxazoles with agonist activity on PPAR_γ, PPAR_δ   and PPAR_α has been performed using combination of various   thermodynamic, electronic and spatial descriptors. Several   regression expressions are obtained using multiple linear   regression analysis. The best QSAR is further validated by   leave-one-out cross validation method. The study reveals that   thermodynamic parameters were found to have overall significant   correlationship with PPAR_γ, PPAR_δ and PPAR_α agonist   activity. Thus QSAR brings important structural insight to   aid the design of potent new molecules.