JFIOnline
Vol 7, No 3 (2015)

Studi Interaksi Senyawa Turunan 1,3-Dibenzoiltiourea sebagai Ribonukleotida Reduktase Inhibitor

Lestari, Tresna ( STIKes Bakti Tunas Husada Tasikmalaya)



Article Info

Publish Date
24 Oct 2015

Abstract

In this research, docking process was carried out from 1,3-dibenzoylthio- urea derivates compound to ribonucleotide reductase receptor. The receptor used was 2EUD with ligand GCQ (Gemsitabine Diphosphate) obtained from the website of protein data bank (PDB). The purpose of this research was to ????ind out the inter- action and toxicity of 1,3-dibenzoylthiourea derivates compound to ribonucleotide reductase receptor. All compounds was docked using ArgusLab 4.0.1 applications. The docking process performed by the method of ArgusDock. The validation of dock- ing used RMSD value gained < 2 that is 1, 704524 on calculate size X=16.5, Y=17.25 and Z=16.75. The analysis of docking result showed that 1,3-bis[(3-methylphenyl) carbonyl]thiourea compound can be predicted to have lowest free binding energy (ΔG) than comparative ligand and parent compound. From this research result can conclude that 1,3-bis[(3-methylphenyl)carbonyl]thiourea to inhibitor activity of ri- bonucleotide reductase receptor. Toxicity test accomplished using ToxTree applica- tion, with parameter such as Cramer Rules, Benigni / Bossa rulebase and Kroes TTC decision tree.  Key word: Docking, 1,3-dibenzoylthiourea, ribonucleotide reductase inhibitor, toxicity

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Journal Info

Abbrev

jurnal

Publisher

Subject

Health Professions Medicine & Pharmacology

Description

Jurnal Farmasi Indonesia yang diterbitkan oleh Pengurus Pusat Ikatan Apoteker Indonesia. Isi website memuat seluruh jurnal yang telah diterbitkan mencakup semua aspek dalam ilmu pengetahuan dan teknologi kefarmasian antara lain farmakologi, farmakognosi, fitokimia,farmasetika, kimia farmasi, biologi ...