Development of 3D-QSAR models in cyclic ureidobenzenesulfonamides: human β3-Adrenergic receptor agonist

Pharmacophoric mapping based on 3D-QSAR studies is performed on sixteen cyclic ureidobenzenesulfonamides for their β3-adrenergic receptor agonistic activity. The best 3D-QSAR model (with r2=0.877) which described the properties and distributions of 5-biophoric and 2-secondary biophoric sites, showed a good correlation between the observed and predicted activity both in training and test.