Suko Hardjono (2014) Upaya untuk menghasilkan 1-(4-bromobenzoyloxy)urea sebagai calon obat antikanker. Berkala Ilmiah Kimia Farmasi, 3 (2). pp. 39-43. ISSN 2302-8270

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Abstract

Hydroxyurea or (HU) is a compound that has antineoplastic activity through a mechanism of inhibiting ribonucleotide reductase enzyme. To design new drugs, the physicochemical properties of drug molecules can be predicted before they are synthesized and purified. In silico test has been a method that is taken to initiate the discovery of new drug compounds and to improve the efficiency of lead compounds activity optimization. Ribonucleotide reductase was the main target or receptor of anticancer compounds such as hydroxyurea and its derivatives, namely 1-(4-bromo-benzoyloxy)urea or 4-BrBOU. These compounds formed a complex with crystal structure of ribonucleotide reductase enzym I which is 2EUD. Bond energy in the form of rerank scores from both complex were calculated with Molegro program. Rerank score 4-BrBOU -82.9755 and HU -43.3565. From the results obtained can be predicted that 4-BrBOU has greater anticancer activity than HU. Synthesis of 4-BrBOU was performed by reacting hydroxyurea with 4-bromobenzoyl chloride. The reaction mechanism is inclusion of the nucleophilic hydroxyl group of hydroxyurea to the carbonyl group of 4-bromobenzoyl chloride. Purity test was performed by TLC and melting point determination was performed. Structure Identification was done based on UV-VIS, FT-IR, H/C-NMR, and MS spectrum. In this study, 4-BrBOU compound have been succesfully synthesized and after in vitro anticancer activity was tested against HeLa cells, it was obtained IC50 98,42 µg/ml and the HU had IC50 of 430.21 µg/ml.

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