Discovery of inhibitors of lupin diadenosine 5′,5‴-P 1,P4-tetraphosphate hydrolase by virtual screening

Biochemistry

Volumn 48, Issue 32, 2009, Pages 7614-7620

  Branson, Kim M ^a,b   Mertens, Haydyn D T ^b   Swarbrick, James D ^b   Fletcher, Jamie I ^b   Kedzierski, Lukasz ^a   Gayler, Kenwyn R ^b   Gooley, Paul R ^b   Smith, Brian J ^a  

^a WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH   (Australia)

^b UNIVERSITY OF MELBOURNE   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL LIBRARIES; COMPETITIVE INHIBITION; EXCELLENT SOLUBILITY; HYDROLASES; IN-SILICO SCREENING; INHIBITORY ACTIVITY; ISOTHERMAL TITRATION CALORIMETRY; NMR SPECTROSCOPY; SCORING FUNCTIONS; SPECIFIC INHIBITORS; STRUCTURAL ANALOGUE; SUBSTRATE-BINDING SITES; VIRTUAL SCREENING;

AMINES; BINDING ENERGY; BINDING SITES; DIGITAL LIBRARIES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SUBSTRATES; SULFUR COMPOUNDS;

LEAD COMPOUNDS;

2 [(8 HYDROXY 4 (4 METHYL 2 SULFOANILINO) 9,10 DIOXO 9,10 DIHYDRO 1 ANTHRACENYL)AMINO] 5 METHYLBENZENESULFONIC ACID; ENZYME INHIBITOR; HYDROLASE; LUPIN DIADENOSINE 5',5''' P 1,P 4 TETRAPHOSPHATE HYDROLASE; NSC 232476; NSC 300513; NSC 401611; NSC 86169; NSC 89768; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CHEMICAL BINDING; CHEMICAL STRUCTURE; COMPETITIVE INHIBITION; COMPUTER MODEL; CONCENTRATION RESPONSE; CONTROLLED STUDY; ENZYME INHIBITION; ISOTHERMAL TITRATION CALORIMETRY; NITROGEN NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; SCREENING; SOLUBILITY;

ACID ANHYDRIDE HYDROLASES; ANIMALS; CALORIMETRY; CATALYTIC DOMAIN; COMPUTER SIMULATION; DINUCLEOSIDE PHOSPHATES; DRUG DISCOVERY; ENZYME INHIBITORS; FIBROBLASTS; HUMANS; ISOENZYMES; LUPINUS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PLANT PROTEINS; PLATELET AGGREGATION INHIBITORS; PROTEIN CONFORMATION;

EID: 68849103899     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi900813x     Document Type: Article

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