%0 Journal Article %J Molecules %D 2021 %T Synthetic Transition from Thiourea-Based Compounds to Tetrazole Derivatives: Structure and Biological Evaluation of Synthesized New N-(Furan-2-ylmethyl)-1H-tetrazol-5-amine Derivatives %A Daniel Szulczyk %A Anna Bielenica %A Piotr Roszkowski %A Michał A. Dobrowolski %A Wioletta Olejarz %A Sebastian Kmiecik %A Malgorzata Podsiad %A Marta Struga %X Twelve novel derivatives of N-(furan-2-ylmethyl)-1H-tetrazol-5-amine were synthesized. For obtained compound 8, its corresponding substrate single crystals were isolated and X-ray diffraction experiments were completed. In the initial stage of research, in silico structure-based pharmacological prediction was conducted. All compounds were screened for their antibacterial and antimycobacterial activities using standard and clinical strains. The cytotoxic activity was evaluated against a panel of human cancer cell lines, in contrast to normal (HaCaT) cell lines, by using the MTT method. All examined derivatives were found to be noncytotoxic against normal cell lines. Within the studied group, compound 6 showed the most promising results in antimicrobial studies. It inhibited four hospital S. epidermidis rods’ growth, when applied at the amount of 4 µg/mL. However, the most susceptible to the presence of compound 6 was S. epidermidis T 5501 851/19 clinical strain, for which the MIC value was only 2 µg/mL. Finally, a pharmacophore model was established based on lead compounds from this and our previous work. %B Molecules %V 26 %G eng %U https://www.mdpi.com/1420-3049/26/2/323 %R 10.3390/molecules26020323 %0 Journal Article %J European Journal of Medicinal Chemistry %D 2018 %T Design and synthesis of novel 1H-tetrazol-5-amine based potent antimicrobial agents: DNA topoisomerase IV and gyrase affinity evaluation supported by molecular docking studies %A Daniel Szulczyk %A Michał A. Dobrowolski %A Piotr Roszkowski %A Anna Bielenica %A Joanna Stefańska %A Michal Kolinski %A Sebastian Kmiecik %A Michał Jóźwiak %A Małgorzata Wrzosek %A Wioletta Olejarz %A Marta Struga %K 1H-tetrazol-5-amine %K Antimicrobial activity %K Cytotoxicity %K DNA gyrase %K molecular docking %K Topoisomerase type IV %X A total of 14 of 1,5-disubstituted tetrazole derivatives were prepared by reacting appropriate thiourea and sodium azide in the presence of mercury (II) chloride and triethylamine. All compounds were evaluated in vitro for their antimicrobial activity. Derivatives 10 and 11 showed the highest inhibition against Gram-positive and Gram-negative strains (standard and hospital strains). The observed minimal inhibitory concentrations values were in the range of 1–208 μM (0.25–64 μg/ml). Inhibitory activity of 1,5-tetrazole derivatives 10 and 11 against gyrase and topoisomerase IV isolated from S. aureus was studied. Evaluation was supported by molecular docking studies for all synthesized derivatives and reference ciprofloxacin. Moreover, selected tetrazoles (2, 3, 5, 6, 8, 9, 10 and 11) were evaluated for their cytotoxicity. All tested compounds are non-cytotoxic against HaCaT and A549 cells (CC50 ≤ 60 μM). %B European Journal of Medicinal Chemistry %V 156 %P 631 - 640 %G eng %U http://www.sciencedirect.com/science/article/pii/S022352341830597X %R https://doi.org/10.1016/j.ejmech.2018.07.041