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


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Güngör G., Şakar Daşdan D. , Üstün E., Şahin N.

Journal Of The Indian Chemical Society, vol.96, pp.1163-1168, 2019 (Journal Indexed in SCI Expanded)

  • Publication Type: Article / Article
  • Volume: 96
  • Publication Date: 2019
  • Title of Journal : Journal Of The Indian Chemical Society
  • Page Numbers: pp.1163-1168

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.