1,2,3-Benzotriazoles as Potential Leads for Gastric and Peptic Ulcer Management. In Vitro Urease Inhibitory Activity and Molecular Docking Study

Hyperactivity of the urease enzyme leads to different pathologic conditions in humans, including gastric and peptic ulcers, urinary catheter incrustation, inflammation, adenocarcinoma, lymphoma, etc. Therefore, its inhibition is obligatory to combat these infections. This study demonstrates the assessment of in vitro urease inhibitory potential of synthetic 1,2,3-benzotriazoles 1-40 followed by an in silico study to identify new and potential urease inhibitors. Good to moderate urease inhibitory activities were observed in the range of IC50 from 30.1 +/- 0.17 to 86.2 +/- 0.38 mu M in comparison with thiourea as standard (IC50 = 21.5 +/- 0.47 mu M). Several compounds with various substitutions on the benzotriazole and aryl rings were identified as significantly active urease inhibitors. Furthermore, molecular docking studies showed the possible binding interaction between urease enzymes and ligands (synthetic 1,2,3-benzotriazoles). There was a good correlation between the results of in silico and in vitro studies.