可药性
生物信息学
药物发现
计算生物学
癌症
化学
生物信息学
生物
生物化学
基因
遗传学
作者
Ting Ran,Rong-quan Xiao,Qi-xuan Huang,Haoliang Yuan,Tao Lü,Wen Li
标识
DOI:10.1021/acsmedchemlett.9b00264
摘要
The 2-oxoglutarate (2OG)-dependent oxygenase JMJD6 is emerging as a potential anticancer target, but its inhibitors have not been reported so far. In this study, we reported an in silico protocol to discover JMJD6 inhibitors targeting the druggable 2OG-binding site. Following this protocol, one compound, which we named as WL12, was found to be able to inhibit JMJD6 enzymatic activity and JMJD6-dependent cell proliferation. To our best knowledge, this is the first case in drug discovery targeting JMJD6.
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