dc.creatorMenezes, FAS
dc.creatorMontanari, CA
dc.creatorBruns, RE
dc.date2000
dc.dateJUL-AUG
dc.date2014-12-02T16:26:14Z
dc.date2015-11-26T17:27:40Z
dc.date2014-12-02T16:26:14Z
dc.date2015-11-26T17:27:40Z
dc.date.accessioned2018-03-29T00:14:49Z
dc.date.available2018-03-29T00:14:49Z
dc.identifierJournal Of The Brazilian Chemical Society. Soc Brasileira Quimica, v. 11, n. 4, n. 393, n. 397, 2000.
dc.identifier0103-5053
dc.identifierWOS:000089337600012
dc.identifier10.1590/S0103-50532000000400012
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/52646
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/52646
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/52646
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1284856
dc.descriptionA 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.
dc.description11
dc.description4
dc.description393
dc.description397
dc.languageen
dc.publisherSoc Brasileira Quimica
dc.publisherSao Paulo
dc.publisherBrasil
dc.relationJournal Of The Brazilian Chemical Society
dc.relationJ. Braz. Chem. Soc.
dc.rightsaberto
dc.sourceWeb of Science
dc.subject3D-QSAR
dc.subjectprincipal component analysis
dc.subjectpattern recognition
dc.subjectPneumocystis-carinii Pneumonia
dc.subjectMinor-groove Recognition
dc.subjectWhim Descriptors
dc.subjectNucleic-acids
dc.subjectPentamidine
dc.subjectAnalogs
dc.subjectLeishmania
dc.subjectHoechst-33258
dc.subjectAmazonensis
dc.subjectPrediction
dc.title3D-WHIM pattern recognition study for bisamidines. A structure-property relationship study.
dc.typeArtículos de revistas


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