Indonesian Journal of Chemistry
Vol 10, No 3 (2010)

DOCKING OF 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYL-PYRAZOLE TO CYCLOOXYGENASE-2 USING PLANTS

Stefanus Layli Prasojo (Sekolah Tinggi Ilmu Farmasi “Yayasan Pharmasi”, Semarang)
Fajar Agung Dwi Hartanto (Molecular Modeling Research Center “MOLMOD.ORG” (www.molmod.org), Yogyakarta)
Nunung Yuniarti (Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Gadjah Mada, Yogyakarta)
Zullies Ikawati (Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Gadjah Mada, Yogyakarta)
Enade Perdana Istyastono (Leiden/Amsterdam Center for Drug Research (LACDR), Department of Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081HV Amsterdam)

Article Info

Publish Date
14 Dec 2010

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 Ǻ).

Copyrights © 2010




Citation Download
RIS
EndNote, Reference Manager, ProCite
BibTex
Latex, Jabref
Full PDF
166.937 KB
Original Source
Download Original
Google Scholar
Check in Google Scholar
Journal Info
Indonesian Journal of Chemistry
Website

Abbrev

ijc

Publisher

Universitas Gadjah Mada

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry

Description

Indonesian Journal of Chemistry is an International, peer-reviewed, open access journal that publishes original research articles, review articles, as well as short communication in all areas of chemistry including applied chemistry. The journal is accredited by The Ministry of Research, Technology ...