Novel benzimidazole-based azine derivatives as potent urease inhibitors: synthesis, in vitro and in silico approach.

Aim: In light of various biological activities of benzimidazole and azines, this study focuses on reporting novel derivatives of benzimidazole nucleus. Methods: Twenty novel azines of benzimidazole were synthesized, characterized and tested for in vitro urease inhibitory activity. Results: All these derivatives showed excellent to good inhibition in the range of IC 50 values 14.21 ± 1.87 to 76.11 ± 1.81 μM by comparing with standard thiourea 21.14 ± 0.42 μM. Docking studies were performed for the targeted benzimidazole derivatives to understand the binding mechanics. The results indicated higher binding efficacy compared with the reference inhibitor. Conclusion: This work identifies potential lead candidates for novel urease inhibitors, which with industrial support may be harnessed for the development of new drugs.