Structure-based optimization of aldose reductase inhibitors originating from virtual screening

ChemMedChem

Volumn 4, Issue 5, 2009, Pages 809-819

  Eisenmann, Michael ^a   Steuber, Holger ^a   Zentgraf, Matthias ^a   Altenkämper, Mirko ^a   Ortmann, Regina ^a   Perruchon, Johann ^a   Klebe, Gerhard ^a   Schlitzer, Martin ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

Aldose reductase; Diabetes; Drug design; Inhibitors; Lead optimization; Structure activity relationships

Indexed keywords

3 (2 PHENYLTHIAZOLE 5 YL)ACRYLIC ACID; 3 (5 PHENYLFURAN 2 YL)ACRYLIC ACID; 3 (5 PHENYLTHIOPHENE 2 YL)ACRYLIC ACID; 3 [5 (3 ACETYLPHENYL)FURAN 2 YL]ACRYLIC ACID; 3 [5 (3 METHOXYPHENYL)THIOPHENE 2 YL]ACRYLIC ACID; 3 [5 (3 METHYLPHENYL)FURAN 2 YL]ACRYLIC ACID; 3 [5 (3 METHYLPHENYL)THIOPHENE 2 YL]ACRYLIC ACID; 3 [5 (3 NITROPHENYL)FURAN 2 YL]ACRYLIC ACID; 3 [5 (PYRIDINE 2 YL)FURAN 2 YL]ACRYLIC ACID; 3 [5 (PYRIDINE 3 YL)FURAN 2 YL]ACRYLIC ACID; 3 [5 [3 (METHYLSULFONYL)PHENYL]FURAN 2 YL]ACRYLIC ACID; 3 [5 [3 (TRIFLUORMETHYL)PHENYL]FURAN 2 YL]ACRYLIC ACID; 3 [5 [3 (TRIFLUORMETHYL)PHENYL]THIOPHENE 2 YL]ACRYLIC ACID; 5 (3 ACETYLPHENYL)FURAN 2 CARBALDEHYDE; 5 (3 METHOXYPHENYL)FURAN 2 CARBALDEHYDE; 5 (3 METHOXYPHENYL)THIOPHENE 2 CARBALDEHYDE; 5 (3 METHYLPHENYL)FURAN 2 CARBALDEHYDE; 5 (3 METHYLPHENYL)THIOPHENE 2 CARBALDEHYDE; 5 (3 METHYLSULFONYLPHENYL)FURAN 2 CARBALDEHYDE; 5 (3 NITROPHENYL)THIOPHENE 2 CARBALDEHYDE; 5 (3 TRIFLUORMETHYLPHENYL)FURAN 2 CARBALDEHYDE; 5 (PYRIDINE 2 YL)FURAN 2 CARBALDEHYDE; 5 (PYRIDINE 3 YL)FURAN 2 CARBALDEHYDE; 5 [3 (TRIFLUORMETHYL)PHENYL]THIOPHENE 2 CARBALDEHYDE; 5 BROMOFURAN 2 CARBALDEHYDE; 5 PHENYLFURAN 2 CARBALDEHYDE; 5 PHENYLTHIOPHENE 2 CARBALDEHYDE; ALDOSE REDUCTASE INHIBITOR; IDD 594; UNCLASSIFIED DRUG; UNINDEXED DRUG; ALDEHYDE REDUCTASE; ENZYME INHIBITOR; OXADIAZOLE DERIVATIVE;

ARTICLE; BINDING AFFINITY; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME INHIBITION; IC 50; MOLECULAR INTERACTION; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; BINDING SITE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; HUMAN; METABOLISM; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

ALDEHYDE REDUCTASE; BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; OXADIAZOLES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 67651091790     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.200800410     Document Type: Article

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