Design, synthesis and neuraminidase inhibitory activity of N-(5-benzyl-4-(tert-butyl)thiazol-2-yl)benzamides
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- 作者：Zhilin Wu ; Junmei Peng ; Aixi Hu ; Jiao Ye ; Guoxi Li
- 关键词：Benzamide ; Thiazole ; NA inhibitory activity ; Crystal structure ; Molecular docking
- 刊名：Medicinal Chemistry Research
- 出版年：2016
- 出版时间：February 2016
- 年：2016
- 卷：25
- 期：2
- 页码：356-368
- 全文大小：1,316 KB
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Junmei Peng (1)
Aixi Hu (1)
Jiao Ye (1)
Guoxi Li (1)
1. College of Chemistry and Chemical Engineering, Hunan University, Changsha, Hunan Province, China - 刊物主题：Pharmacology/Toxicology; Biochemistry, general; Cell Biology;
- 出版者：Springer US
- ISSN：1554-8120
文摘
A series of N-(5-benzyl-4-(tert-butyl)thiazol-2-yl)benzamides were synthesized and the structures were characterized by 1H NMR, MS and elemental analyses. The crystal structures of compounds F5 and F16 were determined by single-crystal X-ray diffraction. The neuraminidase inhibitory activities of compounds F1–F32 were evaluated in vitro at the concentration of 40 μg/mL. The results indicated that compounds F8, F26 and F32 exhibited most potent inhibitory activity against NA. Molecular docking was performed by LeDock to further explain the structure–activity relationship of compound F26. The docking modeling showed that compound F26 was in good combination with oseltamivir binding sites of NA and could be a potential NA inhibitor agent.