Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehydrogenase (AKR1C3)

Bioorganic and Medicinal Chemistry

Volumn 22, Issue 3, 2014, Pages 967-977

  Flanagan, Jack U ^a,b   Atwell, Graham J ^a   Heinrich, Daniel M ^a   Brooke, Darby G ^a   Silva, Shevan ^a   Rigoreau, Laurent J M ^c   Trivier, Elisabeth ^c   Turnbull, Andrew P ^c   Raynham, Tony ^c   Jamieson, Stephen M F ^a,b   Denny, William A ^a,b  

^a UNIVERSITY OF AUCKLAND   (New Zealand)

^b UNIVERSITY OF AUCKLAND   (New Zealand)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Aldo keto reductase; Computer aided drug design; Crystal structure; Inhibitor; Morpholylureas

Indexed keywords

ENZYME INHIBITOR; MORPHOLINO(PHENYLPIPERAZIN 1 YL)METHANONE; NEW DRUG; PALLADIUM; TESTOSTERONE 17BETA DEHYDROGENASE; TESTOSTERONE 17BETA DEHYDROGENASE TYPE 5; UNCLASSIFIED DRUG;

ARTICLE; CATALYSIS; CHEMICAL BOND; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; ENZYME ACTIVE SITE; ENZYME INHIBITION; HUMAN; HUMAN CELL; IC 50; LIPOPHILICITY; MOLECULAR DOCKING; MOLECULAR MODEL; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

AKR; ALDO-KETO REDUCTASE; COMPUTER AIDED DRUG DESIGN; COX; CRYSTAL STRUCTURE; CYCLO-OXYGENASE; DCM; DICHLOROMETHANE; DIISOPROPYLETHYLAMINE; DIMETHYL SULFOXIDE; DIPEA; DMSO; INHIBITOR; MORPHOLYLUREAS; NADPH; NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; NON-STEROIDAL ANTI-INFLAMMATORY DRUGS; NSAID; PBD; PROTEIN DATA BANK; TFA; TRIFLUOROACETIC ACID;

3-HYDROXYSTEROID DEHYDROGENASES; CATALYTIC DOMAIN; CHEMISTRY TECHNIQUES, SYNTHETIC; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; HYDROGEN BONDING; HYDROXYPROSTAGLANDIN DEHYDROGENASES; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MORPHOLINES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84892799267     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2013.12.050     Document Type: Article

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