Instigating the Anticancer Activity of New Pyridine-Thiazole-Based Co(III), Mn(II), and Ni(II) Complexes: Synthesis, Structure, DFT, Docking, and MD Simulation Studies.

The perchlorate salt of (4-(4-methoxy phenyl)-2-(2-(1-pyridine-2-yl)ethylidene)hydrazinyl)thiazole () and its metal perchlorate derivatives, namely, [Co()]ClO (), [Mn()](ClO) (), and [Ni()](ClO) (), have been synthesized and characterized through single X-ray crystallography and spectroscopic methods. The ligand crystallizes in a space group 2/ in a nearly planar structure. The overall geometry of the complex salts is described as a distorted octahedron with a MN chromophore.