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Enade Perdana Istyastono
Lab. Kimia Farmasi, Fakultas Farmasi, Universitas Sanata Dharma, Yogyakarta
Chemical Engineering, Chemistry & Bioengineering Chemistry

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SYNTHESIS NEW POTENTIAL ANTI-INFLAMMATORY AGENT SODIUM SALT OF PENTAGAMAVUNON-0 Enade Perdana Istyastono; Rr. Sri Untari Siwi S.M.P; Andreas Asdi Utama; Supardjan A.M
Indonesian Journal of Chemistry Vol 4, No 3 (2004)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (230.281 KB) | DOI: 10.22146/ijc.21850

Abstract

Inflammation is the response of living tissues to injury. The process affects physiological changes such as erythema, edema, asthma and fever. Non-steroid Anti-inflammatory Drugs (NSAIDs) have been developed since they could inhibit inflammation process because of its ability to inhibit biosynthesis of prostaglandin, one of inflammation mediators, through inhibition of cyclooxigenase (COX) enzymes. Molecules, which have been reported having anti-inflammatory activity, for example, are curcumin, some curcumin derivatives and curcumin analogues. One of curcumin analogues that has been  developed is pentagamavunon-0 (PGV-0) whose IUPAC name is 2,5-bis(4'-hidroxy-3'-methoxy-benzylidene)cyclo-pentanone. But PGV-0, which is like curcumin, practically insoluble in water, so it causes problems in the development. The aim of this research is to synthesize a derivative of PGV-0, a natrium salt of PGV-0 (natrium pentagamavunonate-0/Na-pentagamavunonate-0), which is hoped to have a better anti-inflammatory activity and solubility in water than PGV-0. PGV-0 was synthesized by reacting vanillin and cyclopentanone catalized by acid. Na-pentagamavunonate-0 was synthesized with PGV-0 as a starting material using an appropriate method. This research was able to synthesize new compound that was estimated as a natrium salt of PGV-0 (natrium pentagamavunonate-0/Na-pentagamavunonate-0).
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP ANALYSIS OF CURCUMIN AND ITS DERIVATIVES AS GST INHIBITORS BASED ON COMPUTATIONAL CHEMISTRY CALCULATION Enade Perdana Istyastono; Sudibyo Martono; Harno Dwi Pranowo; Iqmal Tahir
Indonesian Journal of Chemistry Vol 3, No 3 (2003)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (66.597 KB) | DOI: 10.22146/ijc.21886

Abstract

The Quantitative Structure-Activity Relationship (QSAR) study was established on curcumin and its derivatives as glutathione S-transferase(s) (GSTs) inhibitors using atomic net charges as the descriptors. The charges were resulted by semiempirical AM1 and PM3 quantum-chemical calculations using computational chemistry approach. The inhibition activity was expressed as the concentration that gave 50% inhibition of GSTs activity (IC50). The selection of the best QSAR equation models was determined by multiple linear regression analysis. This research was related to the nature of GSTs as multifunctional enzymes, which play an important role in the detoxification of electrophilic compounds, the process of inflammation and the effectivity of anticancer compounds.The result showed that AM1 semiempirical method gave better descriptor for the construction of QSAR equation model than PM3 did. The best QSAR equation model was described by :log 1/IC50 = -2,238 - 17,326 qC2' + 1,876 qC4' + 9,200 qC6'The equation was significant at 95% level with statistical parameters : n = 10, m = 3, r­ = 0,839, SE = 0,254, F = 4,764, F/Ftable = 1,001.
Co-Authors Andreas Asdi Utama Harno Dwi Pranowo Iqmal Tahir Rr. Sri Untari Siwi S.M.P Sudibyo Martono Supardjan A.M