Modeling chemical reactions for drug design

Journal of Computer-Aided Molecular Design

Volumn 21, Issue 1-3, 2007, Pages 33-52

  Gasteiger, Johann ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

Chemical reactivity; Enzymatic reactions; Lead discovery and optimization; Metabolism; Physicochemical effects; Synthesis design

Indexed keywords

BIOACTIVITY; DESIGN; ENZYMES; PHASE INTERFACES; PHYSIOLOGY; REGIOSELECTIVITY; SYNTHESIS (CHEMICAL);

BIOCHEMICAL PATHWAY; DESIGN-PROCESS; DRUG DESIGN; ENZYMATIC REACTION; LEAD DISCOVERY AND OPTIMIZATION; LEAD OPTIMIZATION; OPTIMISATIONS; PHYSICOCHEMICAL EFFECTS; SYNTHESIS DESIGN; SYNTHESISED;

LEAD COMPOUNDS;

BUFURALOL; COFORMYCIN; CYTOCHROME P450; CYTOCHROME P450 2C9; CYTOCHROME P450 2D6; CYTOCHROME P450 3A4; DEXTROMETHORPHAN; DEXTRORPHAN; FELODIPINE; IMMUNOGLOBULIN ENHANCER BINDING PROTEIN; SESQUITERPENE LACTONE DERIVATIVE; TRAMADOL;

ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL REACTION; COMPUTER AIDED DESIGN; COMPUTER MODEL; COMPUTER PROGRAM; DRUG DESIGN; DRUG METABOLISM; DRUG STABILITY; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME ACTIVITY; MATHEMATICAL ANALYSIS; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; STEREOCHEMISTRY; STRUCTURAL BIOINFORMATICS; STRUCTURE ACTIVITY RELATION;

EID: 33947286778     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-006-9097-4     Document Type: Article

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