Antiplasmid and carcinogenic molecular orbitals of benz[c]acridine and related compounds.
Effect of K- and L- molecular orbital regions on expression of antiplasmid and carcinogenic activity was studied with various benz[c]acridine derivatives, tricyclic compounds (acridine orange, phenothiazines) and dibenzoazepine (imipramine). Antiplasmid compounds showed the out-of-phase of molecular orbital in the L-region. On the other hand, mutagenic and carcinogenic compounds showed the out-of-phase in the L-region, and their energy was accumulated in the K-region of the molecular orbitals. The present study suggests that the molecular orbitals responsible for the expression of antiplasmid and carcinogenic effects might be basically different.
Molnar
J
J
Faculty of Medicine, Albert Szent-Gyorgyi Medical University, Szeged, Hungary.
Petofi
S
S
Kurihara
T
T
Sakagami
H
H
Motohashi
N
N
D000166:Acridines / Q000737:chemistry* / Q000494:pharmacology* / Q000633:toxicity; D002273:Carcinogens / Q000737:chemistry* / Q000633:toxicity; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004926:Escherichia coli / Q000187:drug effects / Q000235:genetics; D010957:Plasmids / Q000187:drug effects*; D013329:Structure-Activity Relationship
D000166:Acridines; D002273:Carcinogens; C035985:benz(c)acridine