Pharmacophore identification and 3D-QSAR studies in N-(2-benzoyl phenyl)-l-tyrosines as PPARγ agonists Original Research Article

The identification of pharmacophore and three dimensional quantitative structure–activity studies have been performed on a set of N-(2-Benzoylphenyl)-l-tyrosine for their PPARγ agonist activity by using the logico-structural based software Apex 3D—which describes the properties and distribution of primary and secondary biophore sites in the three dimensional space. Among several models, two models of comparable probability were selected on the basis of R2>0.60, chance ≤0.04, size <4, match >0.20. These models showed a good correlation between the observed and predicted biological activity both for training and test sets.