A QSAR Study of the Antimalarial Activity of Some Synthetic 1,2,4-Trioxanes

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...

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Veröffentlicht in:	Journal of Chemical Information and Computer Sciences 1997-01, Vol.37 (1), p.124-130
Hauptverfasser:	Grigorov, M, Weber, J, Tronchet, J. M. J, Jefford, C. W, Milhous, W. K, Maric, D
Format:	Artikel
Sprache:	eng
Schlagworte:	Animals Antimalarial activity Antimalarials - chemistry Antimalarials - pharmacology Artemisinins Biological activity CATALYST Chemical structures Computerized information storage and retrieval Databases, Factual Heterocyclic Compounds - chemistry Heterocyclic Compounds - pharmacology Humans In Vitro Techniques Malaria - drug therapy Models, Molecular Molecular Conformation Molecular Structure Peroxides - chemistry Peroxides - pharmacology Pharmaceutics Pharmacophores Plasmodium - drug effects Searching Sesquiterpenes - chemistry Sesquiterpenes - pharmacology Software Structure-Activity Relationship
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