An In Silico Method for Screening Nicotine Derivatives as Cytochrome P450 2A6 Selective Inhibitors Based on Kernel Partial Least Squares
Nicotine and a variety of other drugs and toxins are metabolized by cytochrome P450 (CYP) 2A6. The aim of the present study was to build a quantitative structure-activity relationship (QSAR) model to predict the activities of nicotine analogues on CYP2A6. Kernel partial least squares (K-PLS) regress...
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
Molecular Diversity Preservation International (MDPI)
2007
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3666054/ |