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Current Computer Aided-Drug Design
ISSN (Print): 1573-4099
ISSN (Online): 1875-6697
Epub Full Text Article
DOI: 10.2174/1573409910666140521152701      Price:  $95









Conformational Preference of Potassium Salts of N-Acylhydrazinecarbodithioates with Antifungal Activity. Combined Experimental and Theoretical Approach

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Author(s): Agata Siwek, Tomasz Plech, Nazar Trotsko, Urszula Kosikowska, Anna Malm, Katarzyna Dzitko and Piotr Paneth
Abstract:
In vitro antifungal potency of a set of potassium N-acylhydrazinecarbodithioates was tested. Some of studied salts displayed significant antifungal activity against Candida spp. at non-toxic concentration indicating a high selectivity of their anticandidal activity. In further study, on the example of conformational analysis, we have tested several force fields and semiempirical parametrizations in order to identify those that could be effectively used for modeling of this class of compounds
Keywords:
Antifungal activity, conformational analysis, potassium N-acylhydrazinecarbodithioates, theoretical calculations
Affiliation:
Institute of Applied Radiation Chemistry, Technical University of Lodz, Zeromskiego 116, 90-924 Lodz, Poland