三氮唑并嘧啶修饰的苯并唑类衍生物的合成、抗菌活性评价及分子对接研究

商 梦帅¹, 张 宇萌¹, 张 弘¹, 胡 鑫洋¹, 崔 朋雷²
1、河北农业大学理学院 河北保定 071000
2、通讯作者河北农业大学理学院 河北保定 071000

摘要

摘要：目的：1,2,4-三氮唑与 4-氯乙酰乙酸乙酯在冰醋酸中回流反应得到三氮唑并嘧啶中间体，进一步和三氯氧磷、芳香胺及苯并噻/噁唑硫醇反应得
到一系列三氮唑并嘧啶修饰的苯并唑类衍生物，通过色谱方法对目标产物进行纯化并利用核磁氢谱及碳谱等进行结构表征。测试了新合成的化
合物对解淀粉芽孢杆菌、金黄色葡萄球菌和枯草芽孢杆菌的抑制活性，结果显示化合物 8d 与 8h 具有很强的抑菌活性，它们对枯草芽孢杆菌的
抑制活性与对照诺氟沙星相当（MIC 为 25mg/L）。分子对接研究显示 8h 与细菌体内的 SecA 蛋白可以通过 SER374 等有效键合，对接在 ATP 附近
的活性区域.

关键词

关键词：三氮唑并嘧啶；苯并噻唑；苯并噁唑；抗菌活性；分子对接

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基金项目：河北省自然科学基金项目：靶向 SecA 的几类硫脲

嘧啶衍生物的设计、合成及抗菌活性评价(B2019204032)；河北农业

大学自主培养人才科研项目：几种硫脲嘧啶类新型抗菌剂的合成及

活性评价(PY201812)；河北农业大学创新创业训练计划项目：靶向

SecA 的硫脲嘧啶类抗菌剂的合成及抗菌活性评价(2023059)。