• Bulletin of the Korean Chemical Society
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• v.25 no.12
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• pp.1874-1876
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• 2004

Quantitative structure activity relationship has been probed for spirosuccinimide-fused tetrahydropyrrolo[1,2-a]pyrazine-1,3-dione derivatives acting as aldose reductase inhibitors. While the spirosuccinimide compounds contain a chiral center, the aldose reductase inhibition assay was performed with racemic mixtures in the published work. As the physicochemical descriptors of the QSAR analysis must be evaluated for a definite molecular structure, we devise a new 'racemic' descriptor as the arithmetic mean of the (R)-enantiomer descriptor and the (S)-enantiomer descriptor. The resultant QSAR model derived from the racemic descriptors outperforms the original QSAR models, closely reproducing the observed activity of optically pure enantiomers as well as racemic mixtures.

• Asian Journal of Turfgrass Science
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• v.1 no.1
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• pp.69-74
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• 1987

This study was carried out to elucidate the seasonal changes of amylase an nitrate reductase activities in Zoysia japonica Steud. The seasonal changes of the amylase activity AA) in aboveground parts appeared high activity from the beginning of May to the beginning of July and in autumn showed an activity of rapid decreasing tendency. But, the AA in winter(Nov. 15~Feb 28 was not almost detected. The seasonal changes of nitrate reductase activity(NRA) in various organs appeared a very similar figures to the seasonal changes of AA. But, the NRA in the root was not almost detected.

• Journal of Life Science
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• v.10 no.1
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• pp.79-85
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• 2000

Chemoprevention is one of the major strategies for cancer control. It is well established that dietary factors play an important role in modulating the development of certain types of human cancer. The experiment was conducted to determine quinone reductase(QR) activity induction of Daucus carota L. on HepG2 cells. Among various partition layers of roots of Daucus carota L., the ethyl acetate partition layer(DCMEA) and the n-hexane partition layer(DCMH) tested to be most effective which resulted 2.1 and 1.6 respectively compared to the control value of 1.0. In the case of seeds of Daucus carota L. n-butanol partition layer (DCMB) on HepG2 cells at a dose of 200 $\mu\textrm{g}$/$m\ell$ showed the highest induction activity of QR which was 3.0. These results suggest that potentially useful cancer chemoprevention chemicals could be isolated from DCMEA and DCMH of the roots and DCMB of the seeds of Daucus carota L.

• Korean Journal of Pharmacognosy
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• v.20 no.3
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• pp.154-161
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• 1989

Effects of panaxydol, panaxynol and panaxytriol isolated from Panax ginseng C.A. Meyer on some enzyme activities were determined. Activities of ATPase, membrane-bound enzyme from Sarcoma 180 and rat liver were slightly inhibited by panaxydol. Activities of 5'-nucleotidase, membrane-bound enzyme and succinate cytochrome c reductase in mitochonidria from sarcoma 180 and rat livers were significantly inhibited in a dose-dependent manner by panaxynol. The inhibitory effects of panaxydol and panaxynol on succinate cytochrome c reductase activities were more potent than those on 5'-nucleotidase activities and panaxynol was found to be a very potent inhibitor of succinate cytochrome c reductase. Activities of glucose-6-phosphatase in endoplasmic reticulum from Sarcoma 180 and rat livers were not affected by all three polyacetylenes. These results suggested that the inhibitory effects of panaxydol and panaxynol on enzyme activities might contribute to their biological activities.

• Archives of Pharmacal Research
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• v.24 no.6
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• pp.597-600
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• 2001

Based on the potential cancer chemoprebentive activity of resveratrol, a trihydroxystilbene with the induction of quinone reductase activeity this study was designed to determine if stilbene-related compounds were inducers of phase ll detoxifying metabolic enzyme quinone reductase (QR) in the mouse hepatoma Hepa 1c1c7 cells. Among the thirteen compounds tested, several compounds including 3,4,5,3',5'-pentamethoxy-trans-stibene were found to potentially induce QR activity in this cell line. In addition, substitution with 3-thiofurane ring instead of phenyl ring in the stilbene skeleton also exhibited potential induction of QR activity. This result will give primary information to design the potential inducers of QR activity in the stilbene analogs.

• Proceedings of the Korean Society of Grassland Science Conference
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• 2002.09a
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• pp.18-18
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• 2002

• Proceedings of the Korean Society of Grassland Science Conference
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• 2002.09a
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• pp.19.1-19
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• 2002

• Bulletin of the Korean Chemical Society
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• v.24 no.10
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• pp.1527-1530
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• 2003

• Proceedings of the Korean Society of Grassland Science Conference
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• 2001.06a
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• pp.83.2-84
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• 2001

• Genomics & Informatics
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• v.13 no.1
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• pp.15-24
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• 2015

Fatty acid synthase (FASN, EC 2.3.1.85), is a multi-enzyme dimer complex that plays a critical role in lipogenesis. This lipogenic enzyme has gained importance beyond its physiological role due to its implications in several clinical conditions-cancers, obesity, and diabetes. This has made FASN an attractive pharmacological target. Here, we have attempted to predict the theoretical models for the human enoyl reductase (ER) and ${\beta}$-ketoacyl reductase (KR) domains based on the porcine FASN crystal structure, which was the structurally closest template available at the time of this study. Comparative modeling methods were used for studying the structure-function relationships. Different validation studies revealed the predicted structures to be highly plausible. The respective substrates of ER and KR domains-namely, trans-butenoyl and ${\beta}$-ketobutyryl-were computationally docked into active sites using Glide in order to understand the probable binding mode. The molecular dynamics simulations of the apo and holo states of ER and KR showed stable backbone root mean square deviation trajectories with minimal deviation. Ramachandran plot analysis showed 96.0% of residues in the most favorable region for ER and 90.3% for the KR domain, respectively. Thus, the predicted models yielded significant insights into the substrate binding modes of the ER and KR catalytic domains and will aid in identifying novel chemical inhibitors of human FASN that target these domains.