Quantitative structure-activity relationships of phenolic compounds causing apoptosis.
A study of a variety of phenolic compounds (simple phenols, estradiol, bisphenol A, diethylstilbesterol) on their action on L1210 leukemia cells led to the formulation of the following QSAR for apoptosis:log 1/C=-3.16 Clog P+2.77 CMR-3.76n=11, r(2)=0.939, s=0.630, q(2)=0.892C is the molar concentration causing 25% apoptosis, Clog P is the calculated octanol/water partition coefficient and CMR is the calculated molecular refractivity. Our results imply the significance of characterization of the phenolic compounds with apoptotic activity and the development of new agents for cancer therapy.
Hansch
Corwin
C
Department of Chemistry, Pomona College, 645N. College Ave., CA 91711, Claremont, USA.
Bonavida
Benjamin
B
Jazirehi
Ali R
AR
Cohen
J John
JJ
Milliron
Cheri
C
Kurup
Alka
A
D000465:Algorithms; D000818:Animals; D017209:Apoptosis / Q000187:drug effects*; D002460:Cell Line; D004247:DNA / Q000096:biosynthesis / Q000187:drug effects; D004260:DNA Repair / Q000187:drug effects; D015195:Drug Design; D005434:Flow Cytometry; D007939:Leukemia L1210 / Q000188:drug therapy / Q000473:pathology; D051379:Mice; D010636:Phenols / Q000138:chemical synthesis* / Q000494:pharmacology*; D021281:Quantitative Structure-Activity Relationship; D014407:Tumor Cells, Cultured
D010636:Phenols; D004247:DNA