ArticleMolecules (Basel, Switzerland)2012
Experimental methodologies and evaluations of computer-aided drug design methodologies applied to a series of 2-aminothiophene derivatives with antifungal activities.
Article in Molecules (Basel, Switzerland), 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Nanostructured Lipid Carriers Containing Norfloxacin and 2-Aminothiophene Derivative Reduces Fluoroquinolone Resistance in Multidrug-ResistantPharmaceutics · 2026Article
- Chitosan-Based Films with 2-Aminothiophene Derivative: Formulation, Characterization and Potential Antifungal Activity.Marine drugs · 2022Article
- Enhanced Efficacy of Thiosemicarbazone Derivative-Encapsulated Fibrin Liposomes against Candidiasis in Murine Model.Pharmaceutics · 2021Article
- Incorporation of 2-amino-thiophene derivative in nanoparticles: enhancement of antifungal activity.Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology] · 2020Article
- Antifungal activity of topical microemulsion containing a thiophene derivative.Brazilian journal of microbiology : [publication of the Brazilian Society for Microbiology] · 2014Article
- Synthesis, structure-activity relationships (SAR) and in silico studies of coumarin derivatives with antifungal activity.International journal of molecular sciences · 2013Article
- Editorial: In Silico Studies in Drug Research Against Neurodegenerative Diseases.Current neuropharmacologyArticle
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Authors and funding
10 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
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 drug design studies [molecular modelling, chemometric tools (CPCA, PCA, PLS) and QSAR-3D] that enable the prediction of three-dimensional structural characteristics that influence the antifungal activities of these derivatives. These predictions provide direction with regard to the syntheses of new derivatives with improved biological activities, which can be used as therapeutic alternatives for the treatment of fungal infections.
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