Conformational Preference of Potassium Salts of N-Acylhydrazinecarbodithioates with Antifungal Activity. Combined Experimental and Theoretical Approach
Agata Siwek, Tomasz Plech, Nazar Trotsko, Urszula Kosikowska, Anna Malm, Katarzyna Dzitko and Piotr Paneth
Affiliation: Department of Organic Chemistry, Faculty of Pharmacy, Medical University, Chodzki 4a, 20-093 Lublin, Poland.
Keywords: Antifungal activity, conformational analysis, potassium N-acylhydrazinecarbodithioates, theoretical calculations.
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.
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