化学
神经氨酸酶
效力
三唑
神经氨酸酶抑制剂
体外
对接(动物)
立体化学
1,2,4-三唑
结构-活动关系
1,2,3-三唑
组合化学
酶
生物化学
药物化学
有机化学
2019年冠状病毒病(COVID-19)
护理部
传染病(医学专业)
病理
疾病
医学
作者
Ling Liu,Jiao Ye,Mengwu Xiao,Keyang Yuan,Mei He,Ai‐Xi Hu,Hao Jia,Ailin Liu
摘要
A series of 1,2,4‐triazole‐3‐thione derivatives ( 6a – 6t ) were synthesized and evaluated against influenza viruses (H1N1) neuraminidase (NA) in vitro . Eighteen compounds exhibited inhibitory potency with IC 50 values ranging from 14.68 ± 0.49 to 39.85 ± 4.23 μg/mL. Among them, compounds 6e and 6h showed significant inhibitory activity with IC 50 values of 14.97 ± 0.70 and 14.68 ± 0.49 μg/mL, respectively. Structure activity relationships were established. Molecular docking studies were performed to understand the binding interaction between active compounds and NA.
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