Synthesis of New 2‐(Pyridin‐4‐yl)‐1H‐imidazo[4,5‐b]pyridine Derivatives: In vitro Antibacterial and In silico Screening

Abstract A library of N ‐substituted 2‐(pyridin‐4‐yl)‐1H‐imidazo[4,5‐ b ] pyridine‐7‐carboxamide and (2‐(pyridin‐4‐yl)‐1H‐imidazo[4,5‐ b ] pyridin‐7‐yl) methanamine analogues synthesized by a series of condensation, oxidation, acid amide coupling and reductive amination reactions. The structures of the compounds were confirmed by IR, 1 H NMR, 13 C NMR and ESI‐MM MS analysis data. The compounds were evaluated for their in vitro antibacterial activity. Antibacterial activity has been conducted on two Gram positive and one Gram negative bacteria. The results have exhibited that the nature of substrate has a profound effect on the biological activity. The biological activity has been conducted against Bacillus cereus , Klebsiella pneumonia and Staphylococcus aureus and the results were compared with the control Amikacin. Molecular docking and ADMET (absorption, distribution, metabolism, excretion and toxicity) studies have been conducted on the selected compounds to further rationalize the results.