Dzitko, KatarzynaPaneth, AgataPlech, TomaszPawełczyk, JakubStączek, PawełStefańska, JoannaPaneth, Piotr2016-01-292016-01-292014Molecules 2014, 19, p. 9926-99431420-3049http://hdl.handle.net/11652/1002http://www.mdpi.com/1420-3049/19/7/9926A series of 4-arylthiosemicarbazides substituted at the N1 position with a 5-membered heteroaryl ring was synthesized and evaluated in vitro for T. gondii inhibition proliferation and host cell cytotoxicity. At non-toxic concentrations for the host cells all studied compounds displayed excellent anti-parasitic effects when compared to sulfadiazine, indicating a high selectivity of their anti-T. gondii activity. The differences in bioactivity investigated by DFT calculations suggest that the inhibitory activity of 4-arylthiosemicarbazides towards T. gondii proliferation is connected with the electronic structure of the molecule. Further, these compounds were tested as potential antibacterial agents. No growth-inhibiting effect on any of the test microorganisms was observed for all the compounds, even at high concentrations.en-ENthiosemicarbazide derivativesanti-Toxoplasma gondii activityantibacterial activitybacterial topoisomerasestoxicitydocking studiesDFT calculationsArtykuł