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|Type:||Artigo de periódico|
|Title:||3D-WHIM pattern recognition study for bisamidines. A structure-property relationship study.|
|Abstract:||A proposed model for the interaction of bisamidine analogues with the B-DNA receptor is established by structure-property relationship studies derived from 3D-WHIM descriptor calculations. Three classes, each with relevant information about structural relationships, were determined by PCA and SIMCA analyses for molecular conformations described by 3D-WHIM descriptors for a set of 29 bisamidines with antileishmaniasis and anti-PCP activities. Shape, distribution and dimension properties mostly govern the interaction of bisamidines with B-DNA through the minor groove AT rich regions.|
principal component analysis
|Editor:||Soc Brasileira Quimica|
|Appears in Collections:||Artigos e Materiais de Revistas Científicas - Unicamp|
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