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Abstract A new series of thiourea derivatives of 16 compounds ( 1–16 ) were synthesized and screened against the urease inhibitory activity. Of the 16 synthesized compounds, 10 exhibited significant activity compared with the standard thiourea. The IC 50 values of the active compounds ranged from 5.4 ± 0.3 to 24.1 ± 1.1 μM, whereas the standard showed an IC 50 value of 21.3 ± 0.8 μM. Among the series, compound 3 was the most potent, displaying an IC 50 value of 5.4 ± 0.3 μM. The enhanced activity of this compound may be attributed to the presence of a fluoro substituent on the benzene ring. Overall, compounds bearing highly electronegative substituents demonstrated superior activity. Molecular docking studies were also performed to investigate and confirm the interactions of the most active compounds with the target enzyme. Furthermore, all synthesized compounds were fully characterized by NMR and HREI-MS analyses, and their binding interactions were further evaluated through molecular docking.
Alhajri et al. (Fri,) studied this question.