DESIGN, MOLECULAR DOCKING OF SYNTHESIZED SCHIFF-BASED THIAZOLE/ PYRIDINE DERIVATIVES AS POTENT ANTIBACTERIAL INHIBITOR

A series of N-(substituted benzylidene) thiazol-2-amines (3a-3d) and N-(substituted benzylidene) pyridyl-2-amines (3A-3D) were synthesized and individual structures were confirmed by several spectral techniques. Antibacterial activity of synthesized Schiff-base derivatives were performed by agar-diffusion method. These compounds were screened by in vitro antibacterial activity against uropathogenic bacteria, Escerichia coli and Klebsiella pneumoniae. The compounds 3a, 3B and 3d had the best inhibititory activity against K. pneumonia, whereas, the other derivatives had moderate activity. The compounds, 3A and 3D exhibited significant inhibitions against E.coli, while other compounds were resisted by both pathogens. It is probable that the presence of 4-nitrophenyl substituted and azomethine functionality having been connected either to thiazole or pyridine nucleus might have contributed to the antibacterial activities of the derivatives. Those were computationally assessed for drugable properties with molecular docking using E.coli DNA gyrase, PDBID-1KZN and Lipinski's rule of five (RO5).