Quantitative structure-activity relationships in 1-aryl-2-(alkylamino)ethanol antimalarials
- 1 April 1979
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Medicinal Chemistry
- Vol. 22 (4), 366-391
- https://doi.org/10.1021/jm00190a007
Abstract
A quantitative structure-activity relationship was formulated for 646 antimalarials acting against Plasmodium berghei in mice. The equation developed has 14 terms, 9 of which were indicator variables. The correlation coefficient for the QSAR was 0.898 and the SD was 0.309. The antimalarials were all arylcarbinols of the type X-ArCHOHCH2NR2R2. Sixty different aryl structures, including a variety of heterocycles, were contained in the study. The most important determinate of activity was the electron-withdrawing ability of the substituents X; the hydrophobic character of X and R played less important roles. Suggestions for more potent analogues were made and the lack of activity of about 100 additional analogues was also considered.This publication has 5 references indexed in Scilit:
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