Uji In Silico Turunan 1-(Benzoiloksi)urea sebagai calon obat anti kanker

Suko Hardjono, Dr., A.pt., MS (2016) Uji In Silico Turunan 1-(Benzoiloksi)urea sebagai calon obat anti kanker. In: Prosiding 1st Annual Pharmacy Conference. 3-4 September 2016, Surakarta, pp. 103-107. ISBN 978-602-74912-0-5

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Abstract

Structur modification is done as an effort to design new drugs. Substituted group changes will cause structural changes, which will lead to changes in the activity of each compound. The amount of activity can be predicted using in silico test. This study aimed to predict twenty 1-(Benzoyloxy)urea derivatives as anti-cancer drug candidates. The action mechanism of 1-(Benzoyloxy)urea derivatives was by inhibiting the action of the ribonucleotide reductase enzyme. The in silico test was performed by docking the compounds which activities would be predicted by forming complexes with the crystal structure of the enzyme ribonucleotide reductase I which was 2EUD. Docking result was in the form of energy bonds depicted with Score (RS) values, using MVD (Molegro Virtual Docking) program. Compounds that had small RS values were, which was still being used as anti cancer drug. Compound that had the predicted to have great activities. All compounds had RS values smaller than Hydroxyurea smallest Rerank RS value was 1-(4- Phenylazobenzoyloxy)urea, which could be predicted that it was the compound that had the greatest activity.

Item Type: Book Section
Uncontrolled Keywords: In silico; 1- (Benzoyloxy)urea; RS; activity prediction
Subjects: Q Science > QD Chemistry > QD450-801 Physical and theoretical chemistry
R Medicine > RC Internal medicine > RC0254 Neoplasms. Tumors. Oncology (including Cancer)
Divisions: 05. Fakultas Farmasi
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CreatorsEmail
Suko Hardjono, Dr., A.pt., MSUNSPECIFIED
Depositing User: Ika Rudianto
Date Deposited: 19 Jan 2017 21:57
Last Modified: 13 Jun 2017 16:23
URI: http://repository.unair.ac.id/id/eprint/51394
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