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Current Computer Aided-Drug Design
ISSN (Print): 1573-4099
ISSN (Online): 1875-6697
VOLUME: 10
ISSUE: 3
DOI: 10.2174/1573409910666140521152701      Price:  $58









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
Pages 205-216 (12)
Abstract:
In vitro antifungal potency of a set of potassium N-acylhydrazinecarbodithioates was tested. Some of the 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:
Department of Organic Chemistry, Faculty of Pharmacy, Medical University, Chodzki 4a, 20-093 Lublin, Poland.