<i>N</i> -monosubstituted Thiosemicarbazide As Novel Ure Inhibitors: synthesis, Biological Evaluation and Molecular Docking

Abstract

<b>Background:</b> Identification of novel Ure inhibitors with high potency has received considerable attention. <b>Methodology & results:</b> Ure inhibition was determined using the indophenol method, the affinities to Ure were estimated via surface plasmon resonance. Seventeen new plus ten known <i>N</i>-monosubstituted thiosemicarbazides were synthesized and identified as novel Ure inhibitors. Out of these compounds, compound <b>b5</b> shows excellent activity against both crude Ure from <i>Helicobacter pylori</i> (IC₅₀ = 0.04 μM) and Ure in living cell (IC₅₀ = 0.27 μM), with the potency being over 600-fold higher than clinical used drug acetohyroxamic acid, respectively. Surface plasmon resonance demonstrated the high affinity (<i>K</i>_d.#x00A0;= 6.32 nM) of <b>b5</b> to Ure. <b>Conclusion:</b> This work provides a class of novel and promising Ure inhibitors.