Correlation between in silico and in vitro Results of 1-(Benzoyloxy)urea and its Derivatives as Potential Anti-Cancer Drugs

Suko Hardjono1, Siswandono Siswodihardjo1, Purwanto Pramono1 and Win Darmanto2
1Faculty of Pharmacy, Universitas Airlangga, Jl. Darmawangsa Dalam Surabaya 60282, Indonesia, 2Faculty of Science and Technology, Universitas Airlangga Surabaya, Indonesia;
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1-(Benzoyloxy)urea and its derivatives were synthesized by modified Scotten-Bauman reaction with adding benzoyl chloride or homologs to hydroxyurea in tetrahydrofuran. Structure characterization was conducted based on ultra-violet (UV-VIS) spectrum, infrared (FT-IR), H nucleus magnetic resonance (1H NMR), C nuclear magnetic resonance (13C NMR) and mass spectrometry (MS). In silico test to predict anti-cancer activity of 1-(benzoyloxy)urea and its derivatives in ribonucleotide reductase enzyme (PDB: 2EUD) was done using Molegro Program. The anti-cancer activity test was performed in vitroby using MTT method to HeLa cell lines. In silico test result (Rerank Score) was correlated relative to anti-cancer activity (log1/IC50). There was a significant linear relationship between in vitroand in silico anti-cancer activity.


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