Kumarasiri, Malika Teo, Theodosia Yu, Mingfeng Philip, Stephen Basnet, Sunita K. C. Albrecht, Hugo Sykes, Matthew J. Wang, Peng Wang, Shudong In Search of Novel CDK8 Inhibitors by Virtual Screening 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. CDK 8 inhibitor;cyclin-dependent kinase;CDK 8 inhibitors;Novel CDK 8 Inhibitors;CDK 8-targeting anticancer drugs;colorectal cancer cell lines;Thirty-three hits;Virtual Screening Aberrant activity;CDK 8;drug-like molecules 2017-02-13
    https://acs.figshare.com/articles/journal_contribution/In_Search_of_Novel_CDK8_Inhibitors_by_Virtual_Screening/4659535
10.1021/acs.jcim.6b00711.s001