In Silico Studies, Comparative Synthesis and Antibacterial Activity of Some Imine Derivatives of Isonicotinic Hydrazide

The yield of synthesis of three derivatives of Isonicotic Hydrazide was compared using refluxing method at 95.C and stirring method at room temperature. The compounds obtained were characterized using IR, H1-NMR and MS spectroscopic techniques and were also assayed for antibacterial activity against Staphylococcus aureus, Escherichia coli, Proteus mirabilis and Klebsiella pneumonia. The possible interactions were studied using PyRx, Arguslab and iGEMDOCK software on bacterial protein targets 3g7e, 1tvf, 3mzd and 4kqr. The results revealed that dimethylamino derivative was obtained with high yield (84%) with stirring at room temperature and the vanillin derivative has the broadest activity across the entire organism tested with an MIC of 150μg against Proteus mirabilis. The docking studies revealed that all the compounds have good possible interaction with target receptors chosen. The Molinspiration and Molsoft bioactivity and drug scores shows that the compounds have good druggability features while the Badapple promiscuity filter identified these compounds as possible promiscuous compounds.