Cypscore: Qunantitiative Predication of Reactivity toward Cytochromes P450 Based on Semiempirical Molecular Orbil theory

ChemMedChem

Volumn 4, Issue 4, 2009, Pages 657-669

  Hennemann, Matthias ^a   Friedl, Arno ^b   Lobell, Mario ^b   Keldenich, Jörg ^b   Hillishch, Alexander ^b   Clark, Timothy ^a   Göller, Andress H ^b  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b BAYER PHARMA AG   (Germany)

Author keywords

Am1; Cytochromes; Metabolism; Semiempirical calculations; Surface properties

Indexed keywords

CYTOCHROME P450; EPOXIDE;

ARTICLE; CHEMICAL REACTION; COMPUTER MODEL; CONTROLLED STUDY; DATA BASE; DEALKYLATION; DRUG METABOLISM; HYDROXYLATION; OXIDATION; PRIORITY JOURNAL; THEORETICAL MODEL; BIOLOGICAL MODEL; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMBINATORIAL CHEMISTRY; ENZYME SPECIFICITY; METABOLISM; OXIDATION REDUCTION REACTION; STRUCTURE ACTIVITY RELATION;

COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTATIONAL BIOLOGY; CYTOCHROME P-450 ENZYME SYSTEM; EPOXY COMPOUNDS; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; OXIDATION-REDUCTION; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 65549171233     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.200800384     Document Type: Article

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