Synthesis, In Silico Study and Antiurease Potential of Imine Derivatives

Abstract

In search of potent urease inhibitors, we have biologically evaluated our synthesized imine derivatives against jack bean urease. In vitro assay results showed that compound 3f with IC50 value of 16.50 ± 0.20 µM can be considered as the most potent urease inhibitor, whereas compounds 3a (IC50 = 23.10 ± 0.11 µM) and 3n (IC50 = 23.34 ± 0.21 µM) were second and third most potent inhibitors, respectively. In silico study revealed that all compounds have good penetration across BBB and HIA; however, AMES toxicity and carcinogenic profiles of more than half of the compounds were not satisfactory. Leading compound 3f was predicted to have very less penetration across BBB, whereas pharmacokinetic profile of compound 3l was better than all other compounds with no toxicity and carcinogenicity. The synthesized compounds can be used as structural foundation for the preparation of new potent urease inhibitors.