title: Conformational preference of potassium salts of N-acylhydrazinecarbodithioates with antifungal activity. Combined experimental and theoretical approach.
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.
authors.affiliation: Department of Organic Chemistry, Faculty of Pharmacy, Medical University, Chodzki 4a, 20-093 Lublin, Poland. agata.siwek@am.lublin.pl.
authors.forename: Agata
authors.initials: A
authors.lastname: Siwek
authors.forename: Tomasz
authors.initials: T
authors.lastname: Plech
authors.forename: Nazar
authors.initials: N
authors.lastname: Trotsko
authors.forename: Urszula
authors.initials: U
authors.lastname: Kosikowska
authors.forename: Anna
authors.initials: A
authors.lastname: Malm
authors.forename: Katarzyna
authors.initials: K
authors.lastname: Dzitko
authors.affiliation: Department of Organic Chemistry, Faculty of Pharmacy, Medical University, Chodzki 4a, 20-093 Lublin, Poland. agata.siwek@am.lublin.pl.
authors.forename: Piotr
authors.initials: P
authors.lastname: Paneth
mesh_terms: D000935:Antifungal Agents / Q000737:chemistry / Q000494:pharmacology*; D002175:Candida / Q000187:drug effects*; D006834:Hydrazines / Q000737:chemistry / Q000494:pharmacology*; D008958:Models, Molecular; D013329:Structure-Activity Relationship; D013859:Thiocarbamates / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000935:Antifungal Agents; D006834:Hydrazines; D013859:Thiocarbamates