%0 Journal Article %A Kumarasiri, Malika %A Teo, Theodosia %A Yu, Mingfeng %A Philip, Stephen %A Basnet, Sunita K. C. %A Albrecht, Hugo %A Sykes, Matthew J. %A Wang, Peng %A Wang, Shudong %D 2017 %T In Search of Novel CDK8 Inhibitors by Virtual Screening %U https://acs.figshare.com/articles/journal_contribution/In_Search_of_Novel_CDK8_Inhibitors_by_Virtual_Screening/4659535 %R 10.1021/acs.jcim.6b00711.s001 %2 https://acs.figshare.com/ndownloader/files/7599955 %K CDK 8 inhibitor %K cyclin-dependent kinase %K CDK 8 inhibitors %K Novel CDK 8 Inhibitors %K CDK 8-targeting anticancer drugs %K colorectal cancer cell lines %K Thirty-three hits %K Virtual Screening Aberrant activity %K CDK 8 %K drug-like molecules %X Aberrant activity of cyclin-dependent kinase (CDK) 8 is implicated in various cancers. While CDK8-targeting anticancer drugs are highly sought-after, no CDK8 inhibitor has yet reached clinical trials. Herein a large library of drug-like molecules was computationally screened using two complementary cascades to identify potential CDK8 inhibitors. Thirty-three hits were identified to inhibit CDK8 and seven of them were active against colorectal cancer cell lines. Finally, the primary target was confirmed using three promising hits. %I ACS Publications