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

• Main Authors: Suko Hardjono, Siswandono Siswodihardjo, Purwanto Pramono, Win Darmanto, NIDN. 0016066103
• Format: Article PeerReviewed
• Language: English; English; English; English
• Published: Lviv Polytechnic National University, Lviv, Ukraine 2017
• Subjects: QD241-441 Organic chemistry; RS1-441 Pharmacy and materia medica
• Online Access: http://repository.unair.ac.id/54434/1/tytulka-180.jpg; http://repository.unair.ac.id/54434/2/abstrak_723.pdf; http://repository.unair.ac.id/54434/3/jurnal%20bukti%20C-04%20Chemistry%20%26%20Chemical%20Tech%20Vol-11%20No-1%202017.pdf; http://repository.unair.ac.id/54434/4/Bukti%20C-04%20Prof%20Siswandono.pdf; http://repository.unair.ac.id/54434/; http://science2016.lp.edu.ua/sites/default/files/Full_text_of_%20papers/full_text_723.pdf
• Institution: Universitas Airlangga

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.