Design, synthesis, in vitro and computational analyses of anticancer nicotinamide derivatives

The search for ideal treatment continues for many health problems such as cancer and infection. In this context, new synthesis compounds have been promising and the nicotinamide derivative compounds, which is an important heterocyclic derivative, has attracted the attention of many researchers. Nowdays, anticancer, antifungal, antimicrobial, antibacterial and antibiofilm effects of some nicotinamide derivatives have been demonstrated. In this study, nine new nicotinamide derivative compounds have been designed and synthesized. The characterization of these synthesized compounds have been done by in silico methods. The anticancer effects of the compounds have been investigated in four different cancer types and compared with their effects on healthy fibroblast cells. N4 has been found to have a cytotoxic effect on MCF-7 human breast cancer, and the IC50 value has been calculated as 12.1 mu M. In addition, antibacterial, antifungal and antibiofilm activities were investigated by in vitro methods and they have been shown to be effective. As a result, it is observed that N4, one of the newly synthesized nicotinamide derivative compounds, has a serious cytotoxic effect in MCF-7 human breast cancer cells compared to healthy fibroblast cells. Pharmacophore map and ADME analyses of studied compound are performed in detail.