By recruiting the important moiety from Shikonin, a series of novel oxoindoline derivatives S1–S20 have been synthesized for inhibiting H. pylori urease. The most potent compound S18 displayed better activity (IC₅₀ = 0.71 μM; MIC = 0.48 μM) than the positive controls AHA (IC₅₀ = 17.2 μM) and Metronidazole (MIC = 31.3 μM). With low cytotoxicity, it showed considerable potential for further development. Docking simulation revealed the possible binding pattern of this series. 3D QSAR model was built to discuss SAR and give useful hints for future modification.

中文翻译：

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从新型的氧代吲哚衍生物开发潜在的幽门螺杆菌脲酶抑制剂：合成，生物学评估和计算机模拟研究

通过从Shikonin募集重要部分，已合成了一系列新型的氧代吲哚衍生物S1 - S20来抑制幽门螺杆菌脲酶。最有效的化合物S18表现出 比阳性对照AHA（IC ₅₀  = 17.2μM）和甲硝唑（MIC = 31.3μM）更好的活性（IC ₅₀ = 0.71μM; MIC = 0.48μM）。具有低细胞毒性，它显示出进一步发展的巨大潜力。对接模拟显示了该系列的可能的绑定模式。建立了3D QSAR模型来讨论SAR，并为将来的修改提供有用的提示。