Synthesis, docking study and biological evaluation of novel N-(1,3-benzothiazole-2-yl)-2-(pyridine-3-ylformohydrazido) acetamide derivatives

A series of N-(1,3-benzothiazole-2-yl)-2(pyridine-3-ylformohydrazido acetamide derivatives have been synthesized by facile and efficient conventional method. The structures of the compounds have been elucidated with the aid of elemental analysis, IR, ESI-MS, and 1 H and 13 C NMR spectral data. Molecular docking revealed that synthesized derivatives and target proteins are actively involved in the binding pattern and had a significant correlation with biological activity. Molecular dynamics studies have also been performed and ADME parameters for the synthesized compounds determined. Biological evaluation of all synthesized compounds have been carried out in vitro for their antibacterial, antituberculosis and antifungal efficacy against various bacterial and fungal strains and H 37 Rv. The different studies indicate that newly synthesized compounds possess moderate to good biological activities.