Evaluation of antibacterial and antifungal activities and molecular docking studies of some N-benzyl 2-arylbenzimidazol derivatives
Keywords:
Benzimidazole, antibacterial, antifungal, molecular dockingAbstract
A novel series of N-benzyl 2-arylbenzimidazole derivatives were synthesized. These compounds were screened for in vitro antibacterial and antifungal activities by the micro-broth dilution technique using nutrient broth. Compounds 2c and 2f showed good antibacterial activity against MSSA and MRSA (MIC range: 4 - 16 µg/mL). Compound 2a showed excellent antifungal activity against MSSA and MRSA (MIC 4 µg/mL), and good antifungal activity against Aspergillus niger (MIC 64 µg/mL), which is comparable to the activity of ciprofloxacin and fluconazole. The synthesized compounds were subjected to molecular docking studies with three proteins, namely glucosamine-6-phosphate synthase, topoisomerase II, and DNA gyrase. The molecular docking studies have supported the explanation of antibacterial and antifungal activities through hydrogen bond formation and high affinity.
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