Journal ArticleDOI
Inhibition of 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) by aldose reductase inhibitors
TLDR
Models of the enzyme-inhibitor complexes suggest that Tyr118 and Phe311 are important residues for inhibitor recognition and orientation in the active site of AKR1C21.About:
This article is published in Bioorganic & Medicinal Chemistry.The article was published on 2008-03-15. It has received 14 citations till now. The article focuses on the topics: Aldo-keto reductase & Aldose reductase.read more
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The aldo-keto reductase superfamily and its role in drug metabolism and detoxification.
TL;DR: The aldo-keto reductase (AKR) superfamily comprises enzymes that catalyze redox transformations involved in biosynthesis, intermediary metabolism, and detoxification that play an important role in the phase II detoxification of a large number of pharmaceuticals, drugs, and xenobiotics.
Journal ArticleDOI
Resveratrol and Resveratrol Analogues—Structure—Activity Relationship
TL;DR: The structure-activity relationship of resveratrol and analogues of res veratrol regarding the free radical scavenging and antitumor effects of this exciting natural compound are described and struck in vivo effects can be observed.
Journal ArticleDOI
Tissue Distribution, Ontogeny, and Chemical Induction of Aldo-Keto Reductases in Mice
TL;DR: Treatment of mice with chemical activators of transcription factors constitutive androgen receptor (CAR), pregnane X receptor (PXR), and the nuclear factor-erythroid-2 (Nrf2) transcription factor alters liver mRNAs of Akrs.
Journal ArticleDOI
Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor
Vincenzo Carbone,Marco Giglio,Marco Giglio,Roland P.-T. Chung,Trevor Huyton,Julian Adams,Rosanna Maccari,Rosaria Ottanà,Akira Hara,Ossama El-Kabbani +9 more
TL;DR: Molecular modelling calculations and inhibitory activity measurements of CMD indicated that pi-stacking interactions with several conserved active site tryptophan residues and hydrogen-bonding interactions with the non-conserved C-terminal residue Leu300 in ALR2 contributed to inhibitor selectivity.
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Correlation of binding constants and molecular modelling of inhibitors in the active sites of aldose reductase and aldehyde reductase.
TL;DR: There is correlation between the IC(50) (concentration giving 50% inhibition) values of the inhibitors for the two enzymes and the binding energies (DeltaH) of the enzyme-inhibitor complexes and the results agree with the detailed structural information obtained by X-ray crystallography suggesting that the difference in inhibitor binding for the pair is predominantly mediated by non-conserved residues.
References
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MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures
TL;DR: The MOLSCRIPT program as discussed by the authors produces plots of protein structures using several different kinds of representations, including simple wire models, ball-and-stick models, CPK models and text labels.
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Comparative anatomy of the aldo-keto reductase superfamily.
TL;DR: It is proposed that the aldo-keto reductase superfamily may represent an example of divergent evolution from an ancestral multifunctional oxidoreductase and an examples of convergent evolution to the same active-site constellation as the short-chain dehydrogenase/reductasesuperfamily.
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An unlikely sugar substrate site in the 1.65 Å structure of the human aldose reductase holoenzyme implicated in diabetic complications
TL;DR: The structure of a recombinant human placenta aldose reductase is refined and it is revealed that the enzyme contains a parallel beta 8/alpha 8-barrel motif and establishes a new motif for NADP-binding oxidoreductases.
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A new nomenclature for the aldo-keto reductase superfamily
TL;DR: A new nomenclature system based on amino acid sequence identities is proposed for the aldo-keto reductase superfamily, allowing assignment of consistent designations for newly identified members of the superfamily.
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Structural Requirements of Flavonoids and Related Compounds for Aldose Reductase Inhibitory Activity
TL;DR: The methanolic extracts of several natural medicines and medicinal foodstuffs were found to show an inhibitory effect on rat lens aldose reductase, and various flavonoids and related compounds were examined to clarify the structural requirements of flavonoidal activity.