Relationships between Biological Potency and Electronic States of Polychlorinated Dibenzofurans and Polychlorinated Biphenyls
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概要
- 論文の詳細を見る
It was found that the differences between the frontier molecular orbital energies (ε_<homo>-ε_<lumo>=Δε) in polychlorinated dibenzofurans (PCDFs) and polychlorinated biphenyls (PCBs) have a correlationship with the magnitude of the biological activity which is influenced by both the number and position of chlorine atom substituents on PCDFs and PCBs skeletons. Moreover, it was found that the Δε's values of PCBs are classified into two types which coincide with the well-known classification of PCBs to types of 3-methylcholanthrene and phenobarbital according to their biological activities.The relationship between Δε and biological activity in these xenobiotics suggests that the congeners having small Δε values such as 2,3,4,7,8-pentaCDF, 2,3,4,6,7-pentaCDF, 3,4,5,3', 4'-pentaCB, and 3,4,5,3', 4', 5'-hexaCB form stable molecular complexes with an Ah-receptor, e.g. (2,3,4,7,8-PentaCDF-Ah-receptor), while the congeners having large Δε values are strongly suggested to be unstable in a complex formation. Thus, this work presents an explanatory method to help understand the structure-activity relationship of the xenobiotics PCDFs and PCBs.
- 社団法人日本薬学会の論文
- 1992-11-25
著者
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小林 茂樹
昭和薬大
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田中 彰
Graduate School Of Agricultural Science Tamagawa University
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鴫原 淳
Hoshi College Of Pharmacy
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飛永 精照
Showa College of Pharmaceutical Sciences
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小林 茂樹
Showa College of Pharmaceutical Science
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市川 紘
Hoshi College of Pharmacy
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田中 彰
Showa College of Pharmaceutical Sciences
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飛永 精照
昭和薬科大学
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小林 茂樹
Showa College Of Pharmaceutical Sciences
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田中 章
昭和薬大
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