化学
共价键
对接(动物)
酶
组织蛋白酶
半胱氨酸蛋白酶
生物化学
半胱氨酸
半胱氨酸蛋白酶抑制剂
虚拟筛选
酶抑制剂
共价结合
立体化学
药物发现
有机化学
护理部
细胞凋亡
半胱氨酸蛋白酶
医学
程序性细胞死亡
作者
Sandipan Chowdhury,Steven Kennedy,Kai Zhu,Rama K. Mishra,Patrick Chuong,Alyssa uyen Nguyen,Stefan G. Kathman,Alexander V. Statsyuk
标识
DOI:10.1016/j.bmcl.2018.11.019
摘要
Here we present a virtual docking screen of 1648 commercially available covalent fragments, and identified covalent inhibitors of cysteine protease cathepsin L. These inhibitors did not inhibit closely related protease cathepsin B. Thus, we have established virtual docking of covalent fragments as an approach to discover covalent enzyme inhibitors.
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