| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 2583637 | Environmental Toxicology and Pharmacology | 2011 | 9 Pages |
Abstract
⺠The binding interactions between the OH-PAHs and DNA were investigated. ⺠H-bond and Ï-Ï interaction between OH-PAHs and DNA governed binding affinities. ⺠Molecular size, polarizability and electrostatic potential were important factors. ⺠The OH-PAH with smaller size and higher electrostatic interaction has larger Kb. ⺠The developed QSAR had predictive ability and mechanism interpretability.
Keywords
4-hydroxyphenanthrene2-hydroxyphenanthrenePLSSquared correlation coefficientQSARs1-OHPyr1-hydroxypyrene2-hydroxyfluorene3-Hydroxybenzo[a]pyreneDNABinding energyBinding interactionBinding constantsPartial least squaresstandard errorDockingQuantitative structure–activity relationship (QSAR)Quantitative structure-activity relationshipsPolycyclic aromatic hydrocarbonsPAHs
Related Topics
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Environmental Science
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Authors
Fei Li, Xuehua Li, Xiaoli Liu, Linbao Zhang, Liping You, Jianmin Zhao, Huifeng Wu,