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Structural Bases for the Inhibition of Aldose Reductase by Phenolic Compounds by Giulio Rastelli; Luciano Antolini; Stefania Benvenuti; Luca Costantino is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.

What is Structural Bases for the Inhibition of Aldose Reductase by Phenolic Compounds about?

Aldose reductase (ALR2) is an enzyme involved in the development of long-term diabetic complications. In the search for aldose reductase inhibitors less acidic than carboxylic acids, phenolic compounds related to benzopyran-4-one and chalcone are particularly interesting because they possess good inhibitory properties. In order to investigate the similarities between these two classes of compounds and to provide a structural basis for their inhibition of ALR2, the existing structure-activity relationships were reconsidered. To this end, the acidity constants of a set of chalcones were measured and compared with those of benzopyran-4-one derivatives. Then, having established the relevant protonation state of these phenolics at physiological pH, a conformational analysis was performed on the most active benzopyran-4-one and chalcone derivatives and the results were compared with the crystal structures of some analogues. Finally, molecular docking of the most active chalcone into the ALR2 binding site was performed, and the structure of the enzyme-inhibitor complex was compared with that of the complex formed between ALR2 and a previously-obtained benzopyran-4-one derivative.

Who reads Structural Bases for the Inhibition of Aldose Reductase by Phenolic Compounds?

Author

Giulio Rastelli; Luciano Antolini; Stefania Benvenuti; Luca Costantino

Publisher

Elsevier Science; Elsevier ; Elsevier Ltd.; Elsevier BV (ISSN 0968-0896)

Published

2000

Language

EN

Field

Biochemistry, Genetics and Molecular Biology (Life Sciences)