Hydrogen bonding interactions between aldose reductase complexed with NADP(H) and inhibitor tolrestat studied by molecular dynamics simulations and binding assay

Chemico-Biological Interactions

Volumn 143-144, Issue , 2003, Pages 307-316

  Lee, Yong S ^a   Hodoscek, Milan ^b,c   Kador, Peter F ^d   Sugiyama, Katsumi ^d  

^a NATIONAL INSTITUTES OF HEALTH   (United States)

^b NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

^c NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^d NATIONAL EYE INSTITUTE   (United States)

Author keywords

Aldose reductase; Cationic source; His110; NADP+

Indexed keywords

ALDEHYDE REDUCTASE; ALDOSE REDUCTASE INHIBITOR; CARBOXYLIC ACID; HISTIDINE; HYDROGEN; ISOENZYME; NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; TOLRESTAT; TYROSINE;

BINDING AFFINITY; BINDING ASSAY; COMPARATIVE STUDY; COMPLEX FORMATION; COMPUTER SIMULATION; CONFERENCE PAPER; DRUG POTENCY; DRUG PROTEIN BINDING; ENZYME ACTIVE SITE; ENZYME STRUCTURE; HYDROGEN BOND; MOLECULAR DYNAMICS; PH;

ALDEHYDE REDUCTASE; ENZYME INHIBITORS; HYDROGEN BONDING; MODELS, MOLECULAR; NADP; NAPHTHALENES; PROTEIN BINDING;

EID: 0037325805     PISSN: 00092797     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2797(02)00188-6     Document Type: Conference Paper

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