Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica Quantitative structure-activity relationships (QSAR) studies of bisbenzamidines with antifungal activity
<abstract language="eng">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...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
2010-01-01
|
| Series: | Química Nova |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422010000700011 |
| _version_ | 1818955993221955584 |
|---|---|
| author | Vera L. de Almeida Júlio César Dias Lopes Sheila Rodrigues Oliveira Claudio L. Donnici Carlos A. Montanari |
| author_facet | Vera L. de Almeida Júlio César Dias Lopes Sheila Rodrigues Oliveira Claudio L. Donnici Carlos A. Montanari |
| author_sort | Vera L. de Almeida |
| collection | DOAJ |
| description | <abstract language="eng">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%). |
| first_indexed | 2024-12-20T10:46:53Z |
| format | Article |
| id | doaj.art-ee0ed055266b4f1d97568c42298d0769 |
| institution | Directory Open Access Journal |
| issn | 0100-4042 1678-7064 |
| language | English |
| last_indexed | 2024-12-20T10:46:53Z |
| publishDate | 2010-01-01 |
| publisher | Sociedade Brasileira de Química |
| record_format | Article |
| series | Química Nova |
| spelling | doaj.art-ee0ed055266b4f1d97568c42298d07692022-12-21T19:43:23ZengSociedade Brasileira de QuímicaQuímica Nova0100-40421678-70642010-01-013371482148910.1590/S0100-40422010000700011Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica Quantitative structure-activity relationships (QSAR) studies of bisbenzamidines with antifungal activityVera L. de AlmeidaJúlio César Dias LopesSheila Rodrigues OliveiraClaudio L. DonniciCarlos A. Montanari<abstract language="eng">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%).http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422010000700011QSARbis-benzamidinesantifungal activity |
| spellingShingle | Vera L. de Almeida Júlio César Dias Lopes Sheila Rodrigues Oliveira Claudio L. Donnici Carlos A. Montanari Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica Quantitative structure-activity relationships (QSAR) studies of bisbenzamidines with antifungal activity Química Nova QSAR bis-benzamidines antifungal activity |
| title | Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica Quantitative structure-activity relationships (QSAR) studies of bisbenzamidines with antifungal activity |
| title_full | Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica Quantitative structure-activity relationships (QSAR) studies of bisbenzamidines with antifungal activity |
| title_fullStr | Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica Quantitative structure-activity relationships (QSAR) studies of bisbenzamidines with antifungal activity |
| title_full_unstemmed | Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica Quantitative structure-activity relationships (QSAR) studies of bisbenzamidines with antifungal activity |
| title_short | Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica Quantitative structure-activity relationships (QSAR) studies of bisbenzamidines with antifungal activity |
| title_sort | estudos de relacoes estrutura atividade quantitativas qsar de bis benzamidinas com atividade antifungica quantitative structure activity relationships qsar studies of bisbenzamidines with antifungal activity |
| topic | QSAR bis-benzamidines antifungal activity |
| url | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422010000700011 |
| work_keys_str_mv | AT veraldealmeida estudosderelacoesestruturaatividadequantitativasqsardebisbenzamidinascomatividadeantifungicaquantitativestructureactivityrelationshipsqsarstudiesofbisbenzamidineswithantifungalactivity AT juliocesardiaslopes estudosderelacoesestruturaatividadequantitativasqsardebisbenzamidinascomatividadeantifungicaquantitativestructureactivityrelationshipsqsarstudiesofbisbenzamidineswithantifungalactivity AT sheilarodriguesoliveira estudosderelacoesestruturaatividadequantitativasqsardebisbenzamidinascomatividadeantifungicaquantitativestructureactivityrelationshipsqsarstudiesofbisbenzamidineswithantifungalactivity AT claudioldonnici estudosderelacoesestruturaatividadequantitativasqsardebisbenzamidinascomatividadeantifungicaquantitativestructureactivityrelationshipsqsarstudiesofbisbenzamidineswithantifungalactivity AT carlosamontanari estudosderelacoesestruturaatividadequantitativasqsardebisbenzamidinascomatividadeantifungicaquantitativestructureactivityrelationshipsqsarstudiesofbisbenzamidineswithantifungalactivity |