含三唑并噻二唑的硫脲嘧啶衍生物作为SecA抑制剂的设计、合成及抗菌活性
Design, synthesis and antimicrobial activities of thiouracil derivatives containing triazolo-thiadiazole as SecA inhibitors.
作者信息
Cui Penglei, Li Xiaoliu, Zhu Mengyuan, Wang Binghe, Liu Jing, Chen Hua
机构信息
Key Laboratory of Chemical Biology of Hebei Province, College of Chemistry and Environmental Science, Hebei University, Baoding 071002, China; College of Science, Agricultural University of Hebei, Baoding 071001, China.
Key Laboratory of Chemical Biology of Hebei Province, College of Chemistry and Environmental Science, Hebei University, Baoding 071002, China.
出版信息
Eur J Med Chem. 2017 Feb 15;127:159-165. doi: 10.1016/j.ejmech.2016.12.053. Epub 2016 Dec 27.
A series of novel thiouracil derivatives containing a triazolo-thiadiazole moiety (7a-7l) have been synthesized by structural modifications on a lead SecA inhibitor, 2. All the compounds have been evaluated for their antibacterial activities against Bacillus amyloliquefaciens, Staphylococcus aureus, and Bacillus subtilis. Compounds 7d and 7g were also tested for their inhibitory activities against SecA ATPase due to their promising antimicrobial activities. The inhibitory activity of compound 7d was found to be higher than that of 2. Molecular docking work suggests that compound 7d might bind at a pocket close to the ATPase ATP-binding domain.
通过对先导SecA抑制剂2进行结构修饰，合成了一系列含有三唑并噻二唑部分的新型硫脲嘧啶衍生物（7a - 7l）。对所有化合物针对解淀粉芽孢杆菌、金黄色葡萄球菌和枯草芽孢杆菌的抗菌活性进行了评估。由于化合物7d和7g具有良好的抗菌活性，还测试了它们对SecA ATP酶的抑制活性。发现化合物7d的抑制活性高于化合物2。分子对接研究表明，化合物7d可能结合在靠近ATP酶ATP结合结构域的一个口袋中。
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