Fusion of Morpholine and Schiff Base on Novel Benzimidazole Scaffold as Anti-microbial Agents: A Computational Approach and In-vitro Evaluation

Background Benzimidazole is a well-known bioactive heterocyclic compound with diverse pharmacological properties. In this study, the fusion of morpholine and Schiff base motifs with benzimidazole has been explored to enhance their antimicrobial activity against bacterial and fungal pathogens. Computational methods complement the experimental findings by providing insights into binding interactions and drug-likeness properties. Aims and Objective The study aimed to synthesize novel benzimidazole derivatives fused with morpholine and Schiff basesand evaluate their antimicrobial efficacy and drug-likeness properties through experimental assays and computational modeling. Methods The titled compounds were synthesized following a multi-step chemical process and characterized by using various spectroscopic techniques. The antimicrobial activity of synthesized motifs was assessed against bacterial and fungal strains using in-vitro assays. Computational docking was performed to evaluate binding affinities with target enzymes, also pharmacokinetic and physicochemical properties were analyzed to determine drug-likeness properties. Results Synthesized derivatives demonstrated significant antimicrobial activity, particularly compounds 3b and 3e , which showed potent inhibition of bacterial and fungal pathogens. Computational studies confirmed favorable binding interactions and drug-likeness profiles, correlating well with in-vitro findings. Conclusion The study highlights the potential of benzimidazole derivatives fused with morpholine and Schiff bases as promising antimicrobial agents. These findings pave the way for further exploration of their therapeutic applications, particularly in combating antimicrobial resistance.