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Synthesis, Characterization and Crystal Structures of Thiosemicarbazones with Urease Inhibitory Activity

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Abstract

Thiosemicarbazones are biological active compounds. In this work, five new thiosemicarbazones were prepared and structurally characterized by elemental analysis, 1H NMR and IR spectra, as well as single crystal X-ray diffraction. The compounds were evaluated for their urease inhibitory activities. Among the compounds, those with hydroxyl substituent groups have effective activity with IC50 values of 1.5-2.3 μmol/L. Docking simulation was performed to insert the molecules of the compounds into the crystal structure of Jack bean urease at the active site to determine their probable binding modes.

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  1. School of Chemical and Environmental Engineering, Pingdingshan University, Pingdingshan, People’s Republic of China

    Y.-J. Han, Q.-R. Liu & L.-W. Xue

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Text © The Author(s), 2023, published in Zhurnal Strukturnoi Khimii, 2023, Vol. 64, No. 3, 107803.https://doi.org/10.26902/JSC_id107803

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Han, YJ., Liu, QR. & Xue, LW. Synthesis, Characterization and Crystal Structures of Thiosemicarbazones with Urease Inhibitory Activity. J Struct Chem 64, 462–473 (2023). https://doi.org/10.1134/S0022476623030113

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