Synthesis, antibacterial and molecular docking studies of new benzimidazole derivatives

Abstract

The new analogs of benzimidazole fused heterocyclic compounds such as triazinane and oxadiazinanes were synthesised by classical amino methylation with different aryl-N,N′ unsymmetrical thioureas. The antibacterial activity of triazinane and oxadiazinane compounds have been assessed with zone of inhibition by well diffusion method using a panel of selected gram positive and gram negative bacterial strains and which have showed good activity. The synthesised molecules were subjected to molecular docking studies with two proteins, namely topoisomerase II (PDB ID: 1JIJ) and DNA gyrase subunit b (PDB ID: 1KZN). The molecular docking studies are supporting the antibacterial activity exhibiting high inhibition constant and binding energy.

Keywords:

• Benzimidazole
• Triazinane & oxadiazinane 4-thiones
• Antibacterial activity
• Molecular docking

Acknowledgements

The authors gratefully acknowledge the Department of Chemistry, Kakatiya University, Warangal for constant support during this research work.