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Nunung Yuniarti
Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Gadjah Mada, Yogyakarta
Chemical Engineering, Chemistry & Bioengineering Chemistry

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DOCKING OF 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYL-PYRAZOLE TO CYCLOOXYGENASE-2 USING PLANTS Stefanus Layli Prasojo; Fajar Agung Dwi Hartanto; Nunung Yuniarti; Zullies Ikawati; Enade Perdana Istyastono
Indonesian Journal of Chemistry Vol 10, No 3 (2010)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (166.937 KB) | DOI: 10.22146/ijc.21441

Abstract

The docking protocols to virtually screen selective cyclooxygenase-2 (COX-2) ligands using PLANTS docking software were developed and validated. The crystal structure of 1-phenylsulfonamide-3-trifluoromethyl-5-parabromophenyl-pyrazole (S58) binds to cyclooxygenase-2 (COX-2) was used as the reference structure. The developed protocols could predict the binding pose of S58 to COX-2 accurately (RMSD is 1.2 วบ).
Co-Authors Enade Perdana Istyastono Fajar Agung Dwi Hartanto Stefanus Layli Prasojo Zullies Ikawati