QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS IN 1-ARYL-2-(ALKYLAMINO)ETHANOL ANTI-MALARIALS

A quantitative structure-activity relationship has been formulated for 646 antimalarials acting against P. berghei in mice. The equation developed has 14 terms, 9 of which are indicator variables. The correlation coefficient for the QSAR is 0.898 and the standard deviation is 0.309. The antimalarials are all arylcarbinols of the type X-ArCHOHCH2NR1R2. Sixty different aryl structures, including a variety of heterocycles, are contained in the study. The mostimportant determinate of activity is found to be the electron-withdrawing ability of the substituents X; the hydroprobic character of X and R play less important roles. Suggestions for more potent analogues are made and the use of activity of about 100 additional analogues is also considered. © 1979, American Chemical Society. All rights reserved.