Correlations between topological resonance energy of methyl-substituted benz[c]acridines, benzo[a]phenothiazines and chrysenes, and their carcinogenic or antitumor activities.
In order to clarify the effects of methyl substitution on the carcinogenic activity, each resonance energy (RE) of benz[c]acridines, benzo[a]phenothiazines, chrysene, and their methyl derivatives was calculated by Aihara's TRE theory. Some correlations seem to exist between the values of resonance energy per pi-electron for the cationic species-with the lack of the atom having the highest approximate superdelocalizability (Sr'(E)) from their parents skeleton-and carcinogenic activity.
Department of Chemistry, Faculty of Science, Josai University, Saitama, Japan.
T
T
Kurihara
N
N
Motohashi
G L
GL
Pang
M
M
Higano
K
K
Kiguchi
J
J
Molnár
D000166:Acridines / Q000737:chemistry* / Q000494:pharmacology; D016588:Anticarcinogenic Agents / Q000737:chemistry* / Q000494:pharmacology*; D002273:Carcinogens / Q000737:chemistry* / Q000633:toxicity*; D002911:Chrysenes / Q000737:chemistry* / Q000633:toxicity*; D010640:Phenothiazines / Q000737:chemistry* / Q000494:pharmacology; D013329:Structure-Activity Relationship
D000166:Acridines; D016588:Anticarcinogenic Agents; D002273:Carcinogens; D002911:Chrysenes; D010640:Phenothiazines; C035985:benz(c)acridine; C031637:phenothiazine