Synthesis, Structure-Activity Relationships (SAR) and in Silico Studies of Coumarin Derivatives with Antifungal Activity

Synthesis, Structure-Activity Relationships (SAR) and in Silico Studies of Coumarin Derivatives with Antifungal Activity

The increased incidence of opportunistic fungal infections, associated with greater resistance to the antifungal drugs currently in use has highlighted the need for new solutions. In this study twenty four coumarin derivatives were screened in vitro for antifungal activity against strains of Aspergi...

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Bibliographic Details
Main Authors: José M. Barbosa-Filho, Ricardo O. de Moura, Thiago M. de Aquino, Marcus T. Scotti, Josean F. Tavares, Luciana Scotti, Edeltrudes de O. Lima, Carlos A. de Simone, Felipe Q. S. Guerra, Francisco J. B. Mendonça, Rodrigo S. A. de Araújo
Format: Article
Language:English
Published: MDPI AG 2013-01-01
Series:International Journal of Molecular Sciences
Subjects:
coumarin derivatives
antifungal activity
Aspergillus sp.
structure-activity relationships (SAR)
molecular modeling
principal component analysis (PCA)
partial least squares regression (PLS)
density functional theory (DFT)
Online Access:http://www.mdpi.com/1422-0067/14/1/1293

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http://www.mdpi.com/1422-0067/14/1/1293

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