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Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
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In Search of Novel CDK8 Inhibitors by Virtual Screening

Malika Kumarasiri1, Theodosia Teo1, Mingfeng Yu1

  • 1Centre for Drug Discovery and Development, Sansom Institute for Health Research, Centre for Cancer Biology, and School of Pharmacy and Medical Sciences, University of South Australia , Adelaide, South Australia 5001, Australia.

Journal of Chemical Information and Modeling
|February 14, 2017
PubMed

Insights

Researchers computationally screened drug-like molecules to find cyclin-dependent kinase (CDK) 8 inhibitors for cancer. Thirty-three molecules inhibited CDK8, with seven showing activity against colorectal cancer cells, validating CDK8 as a promising drug target.

Area of Science:

  • Oncology
  • Medicinal Chemistry
  • Molecular Biology

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