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KMID : 1059519930370040396
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Journal of the Korean Chemical Society
1993 Volume.37 No. 4 p.396 ~ p.400
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Theoretical Studies on the Photochemical Reaction of Psoralen(I) Structure-Activity Studies on the Psoralen
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Kim Ja-Hong
Chung Gil-Young
Sohn Sung-Ho
Yang Kee-Soo
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Abstract
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The structure-activity relationship of photo-skinsensitizing psoralens has been investigated by the MM2, FMO, molecular connectivity methods. The molecular complexes between DNA and photoskinsensitizing psoralens are discussed in terms of their differing abilities to complex and react with psoralen interstrand cross linking DNA base. The photoskinsensitiziers are analyzed with respect to the sterographics models of the active sites of the psoralens and frontier orbital density is closely correlated with photo-skinsensitizing carcinogenic activity.
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KEYWORD
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