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Quantitative Structure−Activity Relationship Analysis of Inhibitors of the Nicotine Metabolizing CYP2A6 Enzyme

✍ Scribed by Rahnasto, Minna; Raunio, Hannu; Poso, Antti; Wittekindt, Carsten; Juvonen, Risto O.

Book ID
118012266
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
303 KB
Volume
48
Category
Article
ISSN
0022-2623

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Conceptual DFT properties-based 3D QSAR:
Conceptual DFT properties-based 3D QSAR: Analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme
✍ Sofie Van Damme; Patrick Bultinck 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 180 KB

## Abstract Structure‐activity relationships of 46 P450 2A6 inhibitors were analyzed using the 3D‐QSAR methodology. The analysis was carried out to confront the use of traditional steric and electrostatic fields with that of a number of fields reflecting conceptual DFT properties: electron density,