estudos de relações estrutura-atividade quantitativas (qsar) de bis-benzamidinas com atividade antifúngica quantitative structure-activity relationships (qsar) studies of bisbenzamidines with antifungal activity
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estudos de relações estrutura-atividade quantitativas (qsar) de bis-benzamidinas com atividade antifúngica quantitative structure-activity relationships (qsar) studies of bisbenzamidines with antifungal activity

;Vera L. de Almeida;Júlio César Dias Lopes;Sheila Rodrigues Oliveira;Claudio L. Donnici;Carlos A. Montanari
greece and rome 2010 Vol. 33 pp. 1482-1489
249
almeida2010qumicaestudos

Abstract

This paper describes 2D-QSAR and 3D-QSAR studies against Candida albicans and Cryptococcus neofarmans for a set of 20 bisbenzamidines. In the studies of 2D-QSAR with C. albicans it was obtained a correlation between log MIC-1 and lipolo component-Z (r² = 0.68; Q² = 0.51). In the case of C. neofarmans a correlation between log MIC-1 and lipolo component-Z and of Balaban index (r² = 0.85; Q² = 0.6) was obtained. 3D-QSAR studies using CoMFA showed that the steric fields contributed more to the predicted activities for Candida albicans (94.9%) and Cryptococcus neofarmans (97.9%).

Keywords

qsar antifungal activitychemistry

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DOI:
10.1590/S0100-40422010000700011
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http://www.scielo.br/scielo.php?script=sci_arttext...

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