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Prediction of Antifungal Activity of Gemini Imidazolium Compounds
Joint Authors
Pałkowski, Łukasz
Błaszczyński, Jerzy
Skrzypczak, Andrzej
Błaszczak, Jan
Nowaczyk, Alicja
Wróblewska, Joanna
Kożuszko, Sylwia
Gospodarek, Eugenia
Słowiński, Roman
Krysiński, Jerzy
Source
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-04-15
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
The progress of antimicrobial therapy contributes to the development of strains of fungi resistant to antimicrobial drugs.
Since cationic surfactants have been described as good antifungals, we present a SAR study of a novel homologous series of 140 bis-quaternary imidazolium chlorides and analyze them with respect to their biological activity against Candida albicans as one of the major opportunistic pathogens causing a wide spectrum of diseases in human beings.
We characterize a set of features of these compounds, concerning their structure, molecular descriptors, and surface active properties.
SAR study was conducted with the help of the Dominance-Based Rough Set Approach (DRSA), which involves identification of relevant features and relevant combinations of features being in strong relationship with a high antifungal activity of the compounds.
The SAR study shows, moreover, that the antifungal activity is dependent on the type of substituents and their position at the chloride moiety, as well as on the surface active properties of the compounds.
We also show that molecular descriptors MlogP, HOMO-LUMO gap, total structure connectivity index, and Wiener index may be useful in prediction of antifungal activity of new chemical compounds.
American Psychological Association (APA)
Pałkowski, Łukasz& Błaszczyński, Jerzy& Skrzypczak, Andrzej& Błaszczak, Jan& Nowaczyk, Alicja& Wróblewska, Joanna…[et al.]. 2015. Prediction of Antifungal Activity of Gemini Imidazolium Compounds. BioMed Research International،Vol. 2015, no. 2015, pp.1-10.
https://search.emarefa.net/detail/BIM-1055298
Modern Language Association (MLA)
Pałkowski, Łukasz…[et al.]. Prediction of Antifungal Activity of Gemini Imidazolium Compounds. BioMed Research International No. 2015 (2015), pp.1-10.
https://search.emarefa.net/detail/BIM-1055298
American Medical Association (AMA)
Pałkowski, Łukasz& Błaszczyński, Jerzy& Skrzypczak, Andrzej& Błaszczak, Jan& Nowaczyk, Alicja& Wróblewska, Joanna…[et al.]. Prediction of Antifungal Activity of Gemini Imidazolium Compounds. BioMed Research International. 2015. Vol. 2015, no. 2015, pp.1-10.
https://search.emarefa.net/detail/BIM-1055298
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1055298