Synthesis, Characterization and In Silico Studies of Novel (E)-4-(((3-(substituted phenyl)-1-phenyl-1H-pyrazol-5-yl)methylene)amino)benzenesulfonamide as Diuretic Agents

Abstract

This research delves into the examination of benzene sulphonamide derivatives featuring pyrazole rings as potential diuretics. Concentrating on their role as human carbonic anhydrase inhibitors (hCA), the investigation aims to unveil a groundbreaking diuretic drug. Six innovative benzenesulfonamide derivatives are synthesized utilizing a conventional heating process. Subsequently, employing AutoDock Vina 1.2.3, these compounds undergo molecular docking assessments and pharmacokinetic predictions at the active sites of hCA I and hCA II, while the SwissADME program is employed for pharmacokinetic forecasting. Notably, Compounds 17 and 19 exhibit robust binding affinities with hCA I and II, respectively, as evidenced by the docking study. ADME studies reveal favorable bioavailability and adherence to PAINS alerts, as well as Lipinski's rule of five requirements. Consequently, based on the findings, these compounds exhibit significant potential as diuretics in comparison to well-established acetazolamide medications.