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Oxidations of p -Alkoxyacylanilides Catalyzed by Human Cytochrome P450 1A2: Structure−Activity Relationships and Simulation of Rate Constants of Individual Steps in Catalysis †

✍ Scribed by Yun, Chul-Ho; Miller, Grover P.; Guengerich, F. Peter


Book ID
126811549
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
115 KB
Volume
40
Category
Article
ISSN
0006-2960

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A quantitative structure–activity relati
✍ David F. V. Lewis; Craig Sams; George D. Loizou 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 84 KB

## Abstract The results of quantitative structure–activity relationships for eight alkyl benzenes undergoing oxidative metabolism via human CYP2E1 are reported. Molecular orbital calculations via the AM1 method were employed for the generation of electronic structural descriptors against experiment