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Docking, molecular dynamics simulation studies, and structure-based QSAR model on cytochrome P450 2A6 inhibitors

✍ Scribed by Sajjad Gharaghani; Taghi Khayamian; Fatemeh Keshavarz


Publisher
Springer
Year
2011
Tongue
English
Weight
373 KB
Volume
23
Category
Article
ISSN
1040-0400

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## Abstract The kinetic analysis of coumarin oxidation by CYP2A6 suggested that substrate binding and release occurred in the multiple steps and such events proceeded rapidly. However, the crystal structure of the CYP2A6‐coumarin complex reveals that no obvious channel is open enough to allow couma