A QSAR Study of the Antimalarial Activity of Some Synthetic 1,2,4-Trioxanes
Martin Grigorov, Jacques Weber, J. M. J. TRONCHET, C. W. Jefford, Wilbur K. Milhous, Djordje M. Maric · Journal of Chemical Information and Computer Sciences · 1997
The antimalarial activity of a series of synthetic 1,2,4-trioxanes is correlated with molecular structure by using a pharmacophore search method (CATALYST). The technique is shown to have predictive accuracy and confirms that docking between an active trioxane and the receptor, heme, is the crucial step for drug action.