Dibenzofuran receptor binding affinity

Denomme MA, Homonko K, Fujita T, Sawyer T, Safe S. Substituted polychlorinated dibenzofuran receptor-binding affinities and hydrocarbon hydroxylase induction potenties—A QSAR analysis. Chem Biol Inter 1986 57 175-87. 

Tuppurainen K, Ruuskanen J. 2000. Electronic eigenvalue (LEVA) a new QSAR/QSPR descriptor for electronic substituent effects based on molecular orbital energies. A QSAR approach to the Ah receptor binding affinity of polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs). Chemosphere 41 843 48... 

Tables Descriptors important for the prediction of Ah receptor binding affinity of dibenzofurans, identified in both the hierarchical TS + TC RR model and the RR model developed following Gram-Schmidt variable thinning...

For halogenated aromatic hydrocarbons like polychlorinated biphenyls (PCBs), polychlorinated dibenzofurans (PCDFs), and polychlorinated dibenzo-p-dioxins (PCDDs) the binding to the aryl hydrocarbon (Ah) receptor regulates their toxicity [89]. The Ah receptor controls the induction of one of the cytochrome P450 enzymes in the liver. Toxic responses such as thymic atrophy, iveight loss, immu-notoxicity and acute lethality are associated ivith the relative affinity of PCBs, PCDFs and PCDDs for the Ah receptor [89]. The quantitative structure-activity relationship (QSAR) models predicting the affinity of the halogenated aromatic hydrocarbons ivith the Ah receptor describe the electron acceptor capability as well as the hydrophobicity and polarizability of the chemicals [89[. 

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