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

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

Volume: 10 Issue: 3

Author(s): Agata Siwek, Tomasz Plech, Nazar Trotsko, Urszula Kosikowska, Anna Malm, Katarzyna Dzitko and Piotr Paneth

Affiliation:

Keywords: Antifungal activity, conformational analysis, potassium N-acylhydrazinecarbodithioates, theoretical calculations.

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.

Cite this article as:

Siwek Agata, Plech Tomasz, Trotsko Nazar, Kosikowska Urszula, Malm Anna, Dzitko Katarzyna and Paneth Piotr, Conformational Preference of Potassium Salts of N-Acylhydrazinecarbodithioates with Antifungal Activity. Combined Experimental and Theoretical Approach, Current Computer-Aided Drug Design 2014; 10 (3) . https://dx.doi.org/10.2174/1573409910666140521152701