Quantitative structure-activity relationships in 1-aryl-2-(alkylamino)ethanol antimalarials
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 antimalarial...
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Veröffentlicht in: | Journal of medicinal chemistry 1979-04, Vol.22 (4), p.366-391 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | 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 heterocyles, are contained in the study. The most important determinate of activity is found to be the electron-withdrawing ability of the substituents X; the hydrophobic character of X and R plays less important roles. Suggestions for more potent analogues are made and the lack of activity of about 100 additional analogues is also considered. |
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ISSN: | 0022-2623 1520-4804 |
DOI: | 10.1021/jm00190a007 |