Rationalization of Physico-chemical Properties of 1,3,5-Trisubstituted Aryls as Highly Selective PPARδ Agonist

Abstract

To optimize the physiochemical properties of 1,3,5-trisubstituted   aryls with high selective agonist activity on PPAR_δa   quantitative structural activity relationship. Hansch approach   was made 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 present studies reveal that for selective   PPAR_δ agonist activity, modification at R₄ and R₅ substituted   positions in molecule is more favourable and also electronic   parameters play a key role in activity.