Abstract:
The high affinity of hemoglobin makes difficult to use carbon monoxide (CO) as a therapeutic agent. One of the safe ways for exogenous CO application is utilization of CO-releasing molecules. Besides, the chemical properties of CO-releasing molecules must be predictable in order to transportation of CO to the cell with controllable manner. The journey of CO through the body fluids is important for analyzing its effectiveness in target cell. Zetasizer measurements such as particle size, mobility and zeta potential of manganese complexes containing benzimidazole derivative ligands that are proven to show anticancer activity in vitro by CO-releasing; [Mn(CO)(3)(bpy)(N-benzimidazole)]PF6 and [Mn(CO)(3)(bpy)(2,4,6-trimethylbenzylbenzimidazole)]PF6 were performed at different pHs and as a function of time in artificial body fluid environments such as PBS, dextrose and isotonic NaCl. The effect of time on the activity and stability of the complexes at different pHs and in different body fluid environments was examined by UV-Vis spectroscopy. In this way, a method was developed that could shed light on the in vivo studies of these complexes that can be used as alternative therapeutic agents in cancer treatment. In addition, the theoretical analysis of the molecules using DFT/TDDFT, and molecular docking methods were made, and structure-activity connections were investigated.