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Journal of Computer-Aided Molecular Design

Volumn 25, Issue 11, 2011, Pages 997-1005

In silico prediction of acyl glucuronide reactivity

(9) Potter, Tim a Lewis, Richard a Luker, Tim a Bonnert, Roger a Bernstein, Michael A a Birkinshaw, Timothy N a Thom, Stephen a Wenlock, Mark a Paine, Stuart a

a ASTRAZENECA (United Kingdom)

Author keywords

Drug design; Metabolite; Prediction; QSAR; QSPR; Reactivity

Indexed keywords

CARBOXYLATION; CARBOXYLIC ACIDS; CHEMICAL SHIFT; COMPUTATIONAL CHEMISTRY; ESTERS; HYDROLYSIS; METABOLITES; RISK ASSESSMENT;

DRUG CANDIDATES; DRUG DESIGN; GLUCURONIDES; HALF LIVES; IN-SILICO; NON-STEROIDAL ANTI-INFLAMMATORY DRUGS; QSAR; QSPR; REACTIVITY; SILICO PREDICTION;

FORECASTING;

ACYL GLUCURONIDE; DICLOFENAC; FENOPROFEN; GLUCURONIDE; IBUPROFEN; KETOPROFEN; SUPROFEN; TOLMETIN; UNCLASSIFIED DRUG; ZOMEPIRAC;

ANIMAL EXPERIMENT; ARTICLE; CALCULATION; CARBON NUCLEAR MAGNETIC RESONANCE; COMPUTER MODEL; COMPUTER PREDICTION; CONTROLLED STUDY; DRUG DEGRADATION; DRUG DESIGN; DRUG HALF LIFE; DRUG HYDROLYSIS; DRUG STRUCTURE; DRUG SYNTHESIS; MALE; NONHUMAN; PH; PRIORITY JOURNAL; RAT;

EID: 84855197142 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-011-9479-0 Document Type: Article

Times cited : (10)

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