scholarly journals SYNTHESIS AND PHYSICOCHEMISTRY PROPERTIES PREDICTION OF A NEW POTENTIAL ANTI-INFLAMMATORY AGENT: DIACETYL PENTAGAMAVUNON-1

2010 ◽  
Vol 6 (1) ◽  
pp. 94-98
Author(s):  
Supardjan A. Margono ◽  
Pudjono Pudjono ◽  
St. Layli Prasojo ◽  
Jeffry Julianus ◽  
Enade Perdana Istyastono
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Quantum Chemical ◽  
Structure Elucidation ◽  
High Performance ◽  
Light Yellow Powder ◽  
Inflammatory Agent ◽  
Light Yellow ◽  
Infra Red ◽  
Anti Inflammatory ◽  
Semiempirical Quantum Chemical Calculations

Synthesis and physicochemistry properties prediction of a potential anti-inflammatory agent, diacetyl pentagamavunon-1 (diacetyl PGV-1), has been done. The synthesis was using pentagamavunon-1 (PGV-1) (2,87x10-3 mole) and anhydride acetic acid (26x10-3 mole; 37x10-3 mole; 49x10-3 mole) as starting materials and NaOH ethanolic as a catalyst. The AM1 semiempirical quantum-chemical calculations using the computational chemistry approach was used to predict and compare the physicochemisty properties of diacetyl PGV-1 to PGV-1. Odorless, light-yellow powder has been obtained. The powder was 0.8512-0.9602 g (2.02 x10-3 - 2.22x10-3 mole; 70.4-77.4%) and the purity of the powder was 92.4%. The purity of the product has been examined by high performance liquid chromatography (HPLC), while the structure elucidation has been done using IR (Infra Red), 1H-NMR (Nuclear Magnetic Resonance) and MS (Mass Spectroscopy). The physicochemisty properties prediction showed that diacetyl PGV-1 was more hydrophobic than PGV-1.   Keywords: Anti-inflammatory, PGV-1, diacetyl PGV-1, AM1

Comparison of binding properties of a novel non-steroidal anti-inflammatory agent and ibuprofen to cyclooxygenase-1 and cyclooxygenase-2 enzymes by saturation transfer difference nuclear magnetic resonance

2018 ◽  
Vol 96 (7) ◽  
pp. 693-699
Author(s):  
Nil E. Binbay ◽  
Berrin Ziyadanogullari
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Cyclooxygenase 2 ◽  
Saturation Transfer ◽  
Inflammatory Agent ◽  
Saturation Transfer Difference ◽  
Cyclooxygenase 1 ◽  
Anti Inflammatory ◽  
Novel Agent ◽  
Nuclear Magnetic

Saturation transfer difference nuclear magnetic resonance is a ligand-based screening technique that focuses directly on the physical interaction of a macromolecule (protein, enzyme, etc.) and a small ligand. It is a powerful tool in pharmaceutical research. Here, a comparison is reported of the binding characteristics of ibuprofen and a novel anti-inflammatory agent to cyclooxygenase-1 and cyclooxygenase-2 enzymes as an application of saturation transfer difference nuclear magnetic resonance. It has been shown that this novel agent is capable of binding to both isoforms of the cyclooxygenase enzymes. It has also been reported that novel agent binds better to cyclooxygenase-2.

scholarly journals SYNTHESIS OF SAFRYL KETONE FROM SAFROLE

2010 ◽  
Vol 4 (1) ◽  
pp. 58-61
Author(s):  
Hanoch J Sohilait ◽  
Hardjono Sastrohamidjojo ◽  
Sabirin Matsjeh ◽  
J Stuart Grossert
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
1H Nmr ◽  
Mass Spectroscopy ◽  
Structure Elucidation ◽  
Secondary Alcohol ◽  
Proton Nuclear Magnetic Resonance ◽  
Infra Red ◽  
Nuclear Magnetic

Synthesis of safryl ketone from safrole has been achieved through conversion of allyl group to secondary alcohol, followed by oxidation with PCC-Al2O3. The oxymecuration-demercuration reaction of safrole with HgSO4-NaBH4 yields safryl alcohol (66.38%) and the oxidation of safryl alcohol with PCC-Al2O3 yields safryl ketone (62.92%). The structure elucidation of these products was conducted using Fourier Transformed Infra Red Spectroscopy (FTIR), Proton-Nuclear Magnetic Resonance (1H-NMR) and Mass Spectroscopy (MS).   Keywords: safryl ketone, safrole

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