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

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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Bibliographic Details
Main Authors: 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
Format: Article
Language:English
Published: MDPI AG 2012-02-01
Series:Molecules
Subjects:
2-aminothiophene derivatives
antifungal activity
molecular modelling
computer-aided drug design
density functional theory
Online Access:http://www.mdpi.com/1420-3049/17/3/2298/

Internet

http://www.mdpi.com/1420-3049/17/3/2298/

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