In silico Studies, Synthesis and Antibacterial Activity of Heterocyclic Compounds with Mannich Bases

Abstract

Aim The present study aimed to identify the potent 123-triazole derivatives for synthesis and also assess their anti-bacterial activity.Methodology In silico design of novel analogues was carried out for ten derivatives using Auto Dock Vina and compared with standard drug Ciprofloxacin. Swiss ADME software was used to analyze lsquoLipinski Rule of Fiversquo and drug likeness properties. Three derivatives which obeyed rule of five having desired physicochemical properties and highest docking score were synthesized PDB code 2K35. The synthesis was carried out in two step process to determine their antibacterial activity. The synthesized compounds were structurally elucidated using Fourier-transform infrared spectroscopy FTIR Nuclear Magnetic Resonance 1H NMR and Mass spectroscopy .Results Antibacterial activity of different compounds was observed by disc diffusion method against two organisms E. coli and Streptococcus. Among the tested compounds 4A showed significant antibacterial activity. Compounds 6A and 8A also exhibited appreciable antibacterial activity against E. coli while compound 6A showed appreciable antibacterial activity against Streptococcus.Conclusion According to data obtained from the present study piperazine incorporated triazole derivatives were found to possess effective antibacterial activity. Further modifications of triazole based compounds at different positions to generate new molecules with potent anti-tumor activities will be described in future.