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KMID : 1059519940380010008
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Journal of the Korean Chemical Society
1994 Volume.38 No. 1 p.8 ~ p.12
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Theoretical Studies on the Photochemical Reaction of Psoralens (Ⅱ) Structure-Activity Studies on the Psoralen Photoadducts
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Kim Ja-Hong
Sohn Sung-Ho
Yang Kee-Soo
Hong Sung-Wan
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Abstract
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The structure-activity studies are described for the photoreaction of naturally occuring psoralen with thymine. Thymine <> psoralen <> thymine photodiadducts from DNA is studied as a model for the charge transfer interaction by the semiempirical methods (PM3-CI-UHF, etc.). The relative structural activities of psoralen, and photoadducts are analyzed in terms of their differing abilities of psoralen and photoadducts are investigated both with regard to their abilities to complex and to intercalate with thymine base. The photoadducts were inferred to be a trans-anti Psoralen(3,4) <> Thymine(5,6) and cis-anti Thymine(5,6) <> (4',5')Psoralen(3,4) <> Thymine.
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KEYWORD
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