QSAR analysis of thiazole benzenesulfonamide substituted 3-pyridylethanolamines as β3-adrenergic receptor agonist

A quantitative structure–activity relationship study on a series of substituted benzene sulfonamide-3-pyridylethanolamines with β3-adrenergic receptor agonist activity was made using a combination of various physiochemical descriptors. Several significant equations with good co-efficients of correlation (⩾0.930) were obtained; the two models were selected using predictive ability of equations for test set. Both models highlight some common important structural features, that is, high electrostatic potential energy and the lipophilic nature of the molecule, favorable for β3-adrenergic receptor agonist activity.

Quantitative structure–activity relationship study on a series of substituted benzene sulfonamide-3-pyridylethanolamines revealed that high electrostatic potential energy and the lipophilic nature of the molecule are favorable for β3-adrenergic receptor agonist activity.Figure optionsDownload as PowerPoint slide