Quantum Chemical Study on the Cytochrome P-450 catalyzed Hydroxylation of Aromatic Hydrocarbons
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概要
- 論文の詳細を見る
A quantum chemical method for prediction of the specific bond of an aromatic hydrocarbon at which hydroxylation will occur most easily in liver microsomes is presented. The interaction energy changes of a binary system composed of an aromatic hydrocarbon and O_2 caused by changes of the mutual spatial arrangement between the hydrocarbon and O_2 were calculated by the CNDO/2 method. This method was applied to the hydroxylations of naphthalene, anthracene, phenanthrene, acenaphthylene, indene and 1,2-dihydronaphthalene. In all cases, the theoretical predictions were found to coincide very well with the reported experimental results.
- 社団法人日本薬学会の論文
- 1980-09-25
著者
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湯川 栄二
Faculty Of Pharmaceutical Sciences Kyushu University
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上田 陽
Faculty of Pharmaceutical Sciences, Kyushu University
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小野 行雄
福山大学薬学部
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上田 陽
九州大学薬学部
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小野 行雄
Faculty of Pharmaceutical Sciences, Kyushu University
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香野 敬喜
Faculty of Pharmaceutical Sciences, Kyushu University
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上田 陽
Faculty Of Pharmaceutical Sciences Kyushu University
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