QSAR analysis of 5-aryl thiazolidine-2,4-diones as PPAR-<img src='/image/spc_char/alpha.gif' border=0> and PPAR-<img src='/image/spc_char/gamma2.gif' border=0> agonists

Abstract

A quantitative structure activity relationship (QSAR) study on a series of analogs of 5-arylthiazolidine-2, 4-diones with activity on PPAR-<img src='/image/spc_char/alpha.gif' border=0><i style=""> </i>and PPAR-<img src='/image/spc_char/gamma2.gif' border=0><i style=""> </i>has been made using combination of various thermodynamic, electronic and spatial descriptors. Several statistical regression expressions are obtained using multiple linear regression analysis. The best QSAR model is further validated by leave one out cross validation method. The studies reveal that for dual PPAR-<img src='/image/spc_char/alpha.gif' border=0>/<img src='/image/spc_char/gamma2.gif' border=0> activity modification at R₂ position in molecule is more favourable and also lower value of resultant dipole moment play a key role in activity. Thus, QSAR brings important structural insight to aid the design of dual PPAR-<img src='/image/spc_char/alpha.gif' border=0>/<img src='/image/spc_char/gamma2.gif' border=0> receptor agonist.