title: QSAR, diagnostic statistics, and molecular modelling of antiallergic acrylamide derivatives.
abstract: 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.
authors.affiliation: Research Group of Pharmacochemistry, Faculty of Medicine, University of Leipzig, Germany.
authors.forename: P P
authors.initials: PP
authors.lastname: Mager
mesh_terms: 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
chemical_list: D000178:Acrylamides