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Experimental Methodologies and Evaluations of Computer-Aided Drug Design Methodologies Applied to a Series of 2-Aminothiophene Derivatives with Antifungal Activities

Fifty 2-[(arylidene)amino]-4,5-cycloalkyl[b]thiophene-3-carbonitrile derivatives were screened for their in vitro antifungal activities against Candida krusei and Cryptococcus neoformans. Based on experimentally determined minimum inhibitory concentration (MIC) values, we conducted computer-aided dr...

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Principais autores: Ricardo Olímpio de Moura, Rayssa Marques Duarte da Cruz, Francisco Jaime Bezerra Mendonça, Jaismary Gonzaga Batista de Oliveira, Edeltrudes de Oliveira Lima, Marcelo Sobral da Silva, Maria do Carmo Alves de Lima, Ivan da Rocha Pitta, Luciana Scotti, Marcus Tullius Scotti
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2012-02-01
coleção:Molecules
Assuntos:
2-aminothiophene derivatives
antifungal activity
molecular modelling
computer-aided drug design
density functional theory
Acesso em linha:http://www.mdpi.com/1420-3049/17/3/2298/
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