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
Affiliation: 
1Faculty of Pharmacy, Universitas Airlangga, Jl. Darmawangsa Dalam Surabaya 60282, Indonesia, suko.hardjono@yahoo.com 2Faculty of Science and Technology, Universitas Airlangga Surabaya, Indonesia;
DOI: 
https://doi.org/10.23939/chcht11.01.019
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Abstract: 
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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