Synthesis, molecular docking and antitumor activity of N,N'-Carbonylbis(N-Ethylbenzamide)

Abstract

We have designed and synthesized N,N’-carbonylbis(N-ethylbenzamide) to find new urea derivative with antitumor activity. The compound was synthesized from reaction of N,N’-diethylurea and benzoyl chloride in tetrahydrofuran. The designed molecule was docked into  binding site of p38a MAP Kinase (pdb. 3HEG) to predict its binding affinity.  The antitumor activity was tested in vitro on human breast cancer cell line (MCF-7 and T47D) by MTT assay and compared with hydroxyurea as a reference compound. The synthesis yield 30% and confirmed as N,N’-carbonylbis(N-ethylbenzamide) by spectroscpopic data. The compound showed higher in vitro antitumor activity than hydroxyurea either against MCF-7 or T47D and displayed better in silico binding property. It concluded that the synthesized compound is recommended to be developed further antitumor agents for human breast cancer.