Molecular Modeling and Cytotoxic Effects Of Biogenic Co(II) Nano Compounds

New Co(II) macrocyclic Schiff base complexes of type [MLCl₂] have been synthesized via a condensation reaction. The complexes were characterized by elemental analyses, molar conductivity, IR, ¹H and ¹³C NMR, and electronic spectral data. Based on these spectral data, an octahedral geometry has been proposed for all of the complexes. These complexes have been further converted into nano forms with the help of enzyme protease extracted from Macrotyloma uniflorum (horse gram) seeds. The geomorphology and size of the Co(II) nanoparticles were scrutinized by SEM analysis. The complexes were screened for their cytotoxic activity. The Co(II) complexes have revealed good cytotoxic activity against the cancer cell lines, i.e. human cervical (HeLa) and lung cancer (A549) cell lines, with cell death largely caused by apoptosis. To predict the potentiality of complexes as well as their area of target, molecular modeling techniques, e.g. docking, were implemented.