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

Authors : Gaye Gungor a, Dolunay Sakar Dasdan a*, Elvan Üstün b and Neslihan S, ahin c



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Abstract

In this study, it was investigated that the solution behavior of two carbon monoxide releasing molecules; Mn(CO)3(bpy)(Nimidazole)] 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.

 

Keyword

Particle size, mobility, zeta potential, molecular docking, global reactivity descriptors, manganese carbonyl, imidazole