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- Title
Synthesis, Characterization, Crystal Structures and Urease Inhibition of Some Thiosemicarbazones.
- Authors
Ling-Wei Xue; Qiao-Ru Liu; Yong-Jun Han
- Abstract
Six new thiosemicarbazones were prepared and structurally characterized by elemental analysis, NMR and IR spectra and single-crystal X-ray diffraction. The compounds were evaluated for their Jack bean urease inhibitory activities. Among the compounds, those with hydroxyl and chloro substituent groups have effective activity with IC50 values of 1.8-12.7 µmol L-1. Docking simulations were performed to insert the molecules of the compounds into the active urease site determined by the crystal structure to determine their probable binding modes.
- Subjects
CRYSTAL structure; UREASE; THIOSEMICARBAZONES; COORDINATION polymers; X-ray spectra; ELEMENTAL analysis
- Publication
Acta Chimica Slovenica, 2024, Vol 71, Issue 1, p39
- ISSN
1318-0207
- Publication type
Article
- DOI
10.17344/acsi.2023.8027