QSAR, diagnostic statistics, and molecular modelling of antiallergic acrylamide derivatives

¹Research Group of Pharmacochemistry, Faculty of Medicine, University of Leipzig, Germany.

Drug Design and Discovery

|January 1, 1992

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.

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