Berkala Ilmiah Kimia Farmasi
ISSN 2302-8270
Vol. 3 / No. 2 / Published : 2014-11
Order : 2, and page :7 - 15
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Original Article :
Docking molekul dan sintesis turunan asam benzoil salisilat tersubstitusi klor sebagai penghambat siklooksigenase-2
Author :
- Nuzul Wahyuning Diyah*1
- Siswandono*2
- Dosen Fakultas Farmasi
- Dosen Fakultas Farmasi
Abstract :
A series of ring-chlorinated of benzoylsalicylic acids were designed and synthesized. In silico molecular modeling was carried out through docking the compounds into active site of cyclooxygenase-2 (pdb. 1PXX). The three compounds selected to be synthesized were those which showed lower ligand-enzyme interaction energy than reference ligand, diclofenac, which has higher affinity to cyclooxygenase-2 (COX-2) than acetylsalicylic acid. The compounds were synthesized by reacting salicylic acids and benzoyl chlorides in the presence of pyridine. The structure of synthesis products were confirmed by FTIR and 1H-NMR spectroscopy. Percentage of the synthesis product using those reagents and preparation method are 63 to 65%.
Keyword :
ring-chlorinated of benzoylsalicylic acids, molecular modeling, cyclooxygenase-2, pyridine,
References :
Conaghan, PG,(2012) A turbulent decade for NSAIDs: update on current concepts of classification, epidemiology, comparative efficacy, and toxicity. Journal : Rheumatol. Int. 32(6)
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 Volume : 3 / No. : 2 / Pub. : 2014-11 |
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