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Development of 3D-QSAR models in cyclic ureidobenzenesulfonamides: human beta3-adrenergic receptor agonist
Sushil K Kashaw1, Lalit Rathi, Pradeep Mishra
1Medicinal Chemistry Division, Central Drug Research Institute, Lucknow 226001, India.
Bioorganic & Medicinal Chemistry Letters
|July 11, 2003
Abstract:
Pharmacophoric mapping based on 3D-QSAR studies is performed on sixteen cyclic ureidobenzenesulfonamides for their beta(3)-adrenergic receptor agonistic activity. The best 3D-QSAR model (with r(2)=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.