QSAR, diagnostic statistics, and molecular modelling of antiallergic acrylamide derivatives.
Quantitative structure-activity relationships of antiallergic N-[4-[4-(diphenylmethyl)-1-piperazinyl]-butyl]-3-(3-pyridyl)acr yl-amide s were studied. It was shown that the biological action depends on lipophilic and steric substituent features; apolar but small groups improve activity. Diagnostic statistics indicated that the QSAR equation is relatively robust. It was hypothesized from molecular modelling that the substituents influence primarily the pharmacokinetic-toxokinetic behavior of the compounds.
Mager
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Research Group of Pharmacochemistry, Faculty of Medicine, University of Leipzig, Germany.
D000178:Acrylamides / Q000737:chemistry* / Q000494:pharmacology*; D000818:Animals; D015195:Drug Design; D006967:Hypersensitivity / Q000188:drug therapy*; D008297:Male; D008956:Models, Chemical; D008958:Models, Molecular; D051381:Rats; D017208:Rats, Wistar; D013329:Structure-Activity Relationship
D000178:Acrylamides