Efficient Synthesis of 2-Aminopyridine Derivatives: Antibacterial Activity Assessment and Molecular Docking Studies.

Unlabelled: A new and suitable multicomponent one-pot reaction was developed for the synthesis of 2-amino-3-cyanopyridine derivatives.

Background: This synthesis was demonstrated by the efficient and easy access to a variety of substituted 2-aminopyridines using enaminones as key precursors under solvent-free conditions.

Methods: A range of spectroscopic techniques was used to determine and confirm the chemical structures (FTIR, H NMR, C NMR). The antimicrobial potency of synthesized compounds (-) was tested using disk diffusion assays, and the Minimum Inhibitory Concentration (MIC) for the active compounds was determined against a panel of microorganisms, including Gram-positive and Gram-negative bacteria and yeasts. Moreover, a docking analysis was conducted by Molecular Operating Environment (MOE) software to provide supplementary information about the potential, as well as an ADME-T prediction to describe the pharmacokinetic properties of the best compound and its toxicity.

Results: The results of the antimicrobial activity indicated that compound showed the highest activity against Gram-positive bacteria, particularly and whose MIC values were 0.039 ± 0.000 µg·mL. The results of the theoretical study of compound were in line with the experimental data and exhibited excellent antibacterial potential.

Conclusions: On the basis of the obtained results, compound can be used as an antibacterial agent model with high antibacterial potency.