Correlation of binding constants and molecular modelling of inhibitors in the active sites of aldose reductase and aldehyde reductase

Bioorganic and Medicinal Chemistry

Volumn 17, Issue 3, 2009, Pages 1244-1250

  Carbone, Vincenzo ^a   Zhao, Hai Tao ^a   Chung, Roland ^a   Endo, Satoshi ^b   Hara, Akira ^b   El Kabbani, Ossama ^a  

^a MONASH UNIVERSITY   (Australia)

^b Gifu Pharmaceutical University   (Japan)

Author keywords

Aldehyde reductase; Aldo keto reductase superfamily; Aldose reductase; Inhibitor binding; Molecular modelling

Indexed keywords

3,5 DICHLOROSALICYLIC ACID; ALDEHYDE REDUCTASE; ALDEHYDE REDUCTASE 1; ARGININE; GLUCURONATE REDUCTASE; MINALRESTAT; QUERCETIN; SALICYLIC ACID DERIVATIVE; TOLRESTAT; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BINDING AFFINITY; CONFORMATIONAL TRANSITION; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME INHIBITION; IC 50; MOLECULAR MODEL; PROTEIN CONFORMATION; STRUCTURE ANALYSIS;

ALDEHYDE REDUCTASE; ANIMALS; CATALYTIC DOMAIN; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; HUMANS; IMIDES; INHIBITORY CONCENTRATION 50; KINETICS; MODELS, MOLECULAR; NAPHTHALENES; QUERCETIN; QUINOLONES; RECOMBINANT PROTEINS; SALICYLIC ACIDS; STRUCTURE-ACTIVITY RELATIONSHIP; SWINE; THERMODYNAMICS;

EID: 58949096632     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2008.12.024     Document Type: Article

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