Physicochemical properties, molecular docking and global reactivity descriptors of manganese carbonyl complexes with imidazole ligands

Abstract

In this study, it was investigated that the solution behavior of two carbon monoxide releasing molecules; Mn(CO)(3)(bpy)(N-imidazole)]PF6 (1), [Mn(CO)(3)(bpy)(N-methylimidazole)]PF6 (2) which showed anticancer activity via zetasizer properties such as measuring particle size, electrophoretic mobility and zeta potential as a function of pH and determined the global reactivity descriptors and molecular docking poses via computational chemistry. The activities of molecules in the different pHs were checked by UV/Vis spectrophotometer.