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New coordination compounds of Mn(II), Fe(III), Co(II), and Ni(II) and the biologically active ligand L ( N '-benzylidenepyrazine-2-carbohydrazonamide) were synthesized and characterized by appropriate analytical techniques: elemental analysis (EA), thermogravimetric analysis (TG-DTG), infrared spectroscopy (FTIR), and flame-atomic absorption spectrometry (F-AAS). The biological activity of the obtained compounds was then comprehensively investigated. Rational use of these compounds as potential drugs was proven by ADME analysis. All obtained compounds were screened in vitro for antibacterial, antifungal, and anticancer activities. Some of the studied complexes exhibited significantly higher activity than the ligand alone.

A novel biologically active thiosemicarbazide derivative ligand L ( N-[(phenylcarbamothioyl)amino]pyridine-3-carboxamide ) and a series of its five metal(II) complexes, namely: [Co(L)Cl 2 ], [Ni(L)Cl 2 (H 2 O)], [Cu(L)Cl 2 (H 2 O)], [Zn(L)Cl 2 ] and [Cd(L)Cl 2 (H 2 O)] have been synthesized and thoroughly investigated. The physicochemical characterization of the newly obtained compounds has been performed using appropriate analytical techniques, such as 1 H and l3 C nuclear magnetic resonance (NMR), inductively coupled plasma (ICP), thermogravimetric analysis (TGA), Fourier-transform infrared spectroscopy (FTIR) and magnetic measurements. In order to study the pharmacokinetic profile of the compounds, ADMET analysis was performed. The in vitro studies revealed that the synthesized compounds exhibit potent biological activity against A549 human cancer cell line.