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

Author : Nuzul Wahyuning Diyah, Bambang Tri Purwanto, Siswandono

We have designed and synthesized N,Ní-carbonylbis(N-ethylbenzamide) to find new urea derivative with antitumor activity. The compound was synthesized from reaction of N,Ní-diethylurea and benzoyl chloride in tetrahydrofuran. The designed molecule was docked into binding site of p38 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,Ní-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.

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