Sudibyo Martono
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada. Yogyakarta, Indonesia.

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Quantitative structure-activity relationship of curcumin and its derivatives as μ-class of GST inhibitors Enade Perdana Istyastono; Sudibyo Martono
Indonesian Journal of Pharmacy Vol 16 No 4, 2005
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (224.779 KB) | DOI: 10.14499/indonesianjpharm0iss0pp204-213

Abstract

The Quantitative Structure-Activity Relationship (QSAR) study has been performed on curcumin and its derivatives as μ-class glutathione Stransferase inhibitors using atomic net charges as the predictors. The charges were resulted by semiempirical AM1 quantum-chemical calculations using the computational chemistry approach. The inhibition activity was expressed as the concentration that gave 50% inhibition of μ-class GST activity (IC50). The selection of the best QSAR equation models was determined by multiple linear regression analysis. Curcumin and its derivatives were reported as selective μ-class GST inhibitors. The enzyme plays an important role in the process of inflammation and the effectivity of anti lung-cancer compounds. μ-Class GST inhibitors could enhance the effectivity of anti lung-cancer compounds.The result showed that the best QSAR equation model of curcumin and its derivatives as μ-class GST inhibitors was described by.: log (1/IC50) = (-454.686) + (314.235)qC2 + (1593.499)qC3 + (452.563)qC4 + (1057.194)qC5 + (-1.756)qBenzene’  The equation was significant at 95% level with statistical parameters : n = 10, m = 5, F/FTabel = 3.335, R2 = 0.963, SE = 0.150, and PRESS = 0.559.Key words : QSAR analysis, curcumin, μ-class glutathione S-transferase, atomic net charge.
Inhibitory potency of some methoxyphenyl derivatives compounds on class mu GST activity in vitro Sudibyo Martono
Indonesian Journal of Pharmacy Vol 16 No 1, 2005
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (174.119 KB) | DOI: 10.14499/indonesianjpharm0iss0pp45-50

Abstract

Methoxy phenyl derivative’s compounds i.e. curcumin, ferulic acid, and indomethacin have been reported to have inhibitory effects on rat’s liver glutathione S-transferases (GST) activity. Vaniline and ferulic acid have been known as degradation products of curcumin, and still have methoxy phenyl groups on the structures. Until the recent years, there is no information concerning the influences of methoxy phenyl derivative’s compounds i.e. vaniline, dimethylcurcumin and ethyl-p-methoxycinnamate on GST-activity. The aim of this research is to study the correlation of the inhibitory activity of class mu GST isolated from uninduced and phenobarbital-induced rat liver cytosol by curcumin, dimethylcurcumin, vaniline, indomethacin, ethyl pmethoxycinnamate, and ferulic acid. GST activity was measured spectrophotometrically on the conjugation of DCNB and GSH. The results showed that the inhibitory activity of mu class GST in uninduced or phenobarbital-induced rat liver GST were decreasing as follow : curcumin, dimethylcurcumin, vaniline, indomethacin, ethyl p-methoxycinnamate, and ferulic acid.Key words: methoxyphenyl derivative’s compounds, glutathione S-transferases activity.