ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 37, Number 4
JKCSEZ 37(4)
August 20, 1993 

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.