化学
拟肽
IC50型
立体化学
EC50型
结构-活动关系
蛋白酶
活动站点
肠道病毒71
醛
体外
生物活性
对接(动物)
酶
生物化学
肠道病毒
病毒
肽
病毒学
生物
催化作用
护理部
医学
作者
Yangyang Zhai,Yuying Ma,Fei Ma,Quandeng Nie,Xuejiao Ren,Yaxin Wang,Luqing Shang,Zheng Yin
标识
DOI:10.1016/j.ejmech.2016.08.064
摘要
A series of peptidomimetic aldehydes were designed, synthesized, and evaluated for their biochemical activity against 3C protease (3Cpro) and anti-enterovirus 71 (EV71) activity in vitro. Molecular docking revealed that 5s (IC50 = 0.22 ± 0.07 μM, EC50 = 0.18 ± 0.05 μM) could bind well to the active site of EV71 3Cpro, which was consistent with the biological data compared to reference 5a (IC50 = 0.54 ± 0.02 μM, EC50 = 0.26 ± 0.07 μM). Structure and relationship study led to the discovery of aldehyde 5x (IC50 = 0.10 ± 0.02 μM, EC50 = 0.11 ± 0.07 μM), which exhibited the most potent 3Cpro inhibitory and antiviral activity.
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