CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5′-Diphosphate Ribose Template

PLoS ONE

Volumn 8, Issue 6, 2013, Pages

  Moreau, Christelle ^a   Liu, Qun ^b,f   Graeff, Richard ^c,e   Wagner, Gerd K ^a,g   Thomas, Mark P ^a   Swarbrick, Joanna M ^a   Shuto, Satoshi ^d   Lee, Hon Cheung ^e   Hao, Quan ^b,e   Potter, Barry V L ^a  

^a University of Bath   (United Kingdom)

^b Department of Obstetrics Gynecology   (United States)

^c UNIVERSITY OF MINNESOTA   (United States)

^d HOKKAIDO UNIVERSITY   (Japan)

^e UNIVERSITY OF HONG KONG   (Hong Kong)

^f BROOKHAVEN NATIONAL LABORATORY   (United States)

^g KING'S COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

8 (4 AMINOBUTANE); 8 AMINO N1 CYCLIC INOSINE 5' DIPHOSPHATE RIBOSE; 8 AMINO N1 INOSINE 5' MONOPHOSPHATE; 8 BROMO N1 CYCLIC INOSINE 5' DIPHOSPHATE RIBOSE; 8 BROMO N1 INOSINE 5' MONOPHOSPHATE; 8 LODO N1 INOSINE 5' MONOPHOSPHATE; AMINO N1 CYCLIC INOSINE 5' DIPHOSPHATE RIBOSE; CD38 ANTIGEN; CYCLIC ADENOSINE 5' DIPHOSPHORIBOSE CARBOCYCLIC RIBOSE; ENZYME INHIBITOR; N1 CYCLIC INOSINE 5' DIPHOSPHATE RIBOSE; N1 INOSINE 5' MONOPHOSPHATE; UNCLASSIFIED DRUG; CYCLIC ADENOSINE DIPHOSPHATE RIBOSE; CYCLIC ADP-CARBOCYCLIC-RIBOSE; INOSINE DIPHOSPHATE; PROTEIN BINDING;

ARTICLE; BINDING AFFINITY; CATALYSIS; COMPLEX FORMATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DRUG DESIGN; DRUG STRUCTURE; ENZYME ACTIVE SITE; ENZYME LOCALIZATION; HYDROGEN BOND; HYDROLYSIS; MOLECULAR DOCKING; MOLECULAR WEIGHT; ANALOGS AND DERIVATIVES; ANTAGONISTS AND INHIBITORS; CHEMISTRY; MOLECULAR MODEL; STRUCTURE ACTIVITY RELATION; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

ANTIGENS, CD38; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; CYCLIC ADP-RIBOSE; DRUG DESIGN; ENZYME INHIBITORS; HYDROGEN BONDING; INOSINE DIPHOSPHATE; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; MOLECULAR WEIGHT; PROTEIN BINDING; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84879240801     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0066247     Document Type: Article

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