Efficient and Facile Synthesis of Benzimidazole Induced Schiff Bases and their Potent Antibacterial Activity and Computational Study

Abstract

Synthesized benzimidazole induced Schiff base analogues were characterized by mass, ¹³C NMR, ¹H NMR and UV-visible spectroscopy. To get more information about binding mechanism, molecular docking studies were carried out and the obtained results concluded that the compounds could effectively bind with receptor. in vitro Antibacterial screening was carried out against four strains (S. aureus, B. subtilis, P. aeruginosa and E. coli) and exhibited good antibacterial activity. The gastrointestinal absorption (HIA) and brain penetration (BBB) was evaluated by The BOILED-Egg model, which showed that two compounds anticipated being effectively effluated by the P-glycoprotein from central nervous system after penetration and can accounts for brain access and passive gastrointestinal absorption. Computational screening showed 0.55 bioavailability score for all synthesized compounds.