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Novel arylpyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxides as platelet aggregation inhibitors. 2. Optimization by quantitative structure-activity relationships

AutorCampillo, Nuria E. ; Goya, Pilar ; Páez, Juan A.
Fecha de publicación26-ago-1999
EditorAmerican Chemical Society
CitaciónJournal of Medicinal Chemistry 42 (17) : 3279–3288 (1999)
ResumenIn the previous paper (Part 1), we described the synthesis and antiplatelet activity of a series of phenyl- and heteroarylpyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxides. In this paper, we report the optimization of the platelet aggregation inhibitory activity by an iterative sequence of quantitative structure-activity relationship studies which encompassed synthesis and evaluation of the effects of structure variations at the 1-, 6-, and 7-positions of the heterocyclic system. A model has been established that correctly correlates antiplatelet activity in this series with the partial atomic charges calculated by a local density functional ab initio method. As a result of this study, the experimental platelet aggregation inhibitory activity of the lead compound was improved 300-fold
Versión del editorhttp://dx.doi.org/10.1021/jm981104b
URIhttp://hdl.handle.net/10261/44643
DOI10.1021/jm981104b
ISSN0022-2623
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