Modeling aided design of potent glycogen phosphorylase inhibitors

Journal of Molecular Graphics and Modelling

Volumn 23, Issue 5, 2005, Pages 457-464

  Deng, Qiaolin ^a   Lu, Zhijian ^a   Bohn, Joann ^a   Ellsworth, Kenneth P ^a   Myers, Robert W ^a   Geissler, Wayne M ^a   Harris, Georgianna ^a   Willoughby, Christopher A ^a   Chapman, Kevin ^a   McKeever, Brian ^a   Mosley, Ralph ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

AMP allosteric site; Diacid inhibitors; Docking; Glycogen phosphorylase (GP); Superposition

Indexed keywords

BINDING ENERGY; BIOASSAY; CHARACTERIZATION; COMPUTER AIDED DESIGN; ENZYMES; MUSCLE;

ALLOSTERIC SITES; BINDING ASSAYS; POTENCY;

ENZYME INHIBITION;

4 [2 [[(4 NITROPYRIDIN 2 YL)CARBONYL]AMINO]PHENOXY]PHTHALIC ACID; ADENOSINE PHOSPHATE; ARGININE; CAFFEINE; CP 320626; GLYCOGEN PHOSPHORYLASE; GLYCOSYLTRANSFERASE INHIBITOR; UNCLASSIFIED DRUG; W 1807;

ALLOSTERISM; ARTICLE; BINDING ASSAY; BINDING SITE; CRYSTAL STRUCTURE; DRUG BINDING; DRUG DESIGN; DRUG POTENCY; DRUG SYNTHESIS; ENZYME BINDING; HYDROPHOBICITY; MATHEMATICAL COMPUTING; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; RABBIT;

ADENOSINE MONOPHOSPHATE; ALLOSTERIC SITE; COMPUTER-AIDED DESIGN; DRUG DESIGN; ENZYME INHIBITORS; GLYCOGEN PHOSPHORYLASE; GLYCOGEN PHOSPHORYLASE, LIVER FORM; GLYCOGEN PHOSPHORYLASE, MUSCLE FORM; HUMANS; LEAD; MODELS, CHEMICAL; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; RECOMBINANT PROTEINS; THERMODYNAMICS;

ORYCTOLAGUS CUNICULUS;

EID: 20144378862     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2005.01.001     Document Type: Article

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