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A Versatile Strategy for Screening Custom-Designed Warhead-Armed Cyclic Peptide Inhibitors.

Deokhee Kang1, Do-Wook Kim1, Joo-Chan Kim1

  • 1Department of Chemistry, Korea Advanced Institute of Science and Technology, 291 Daehak-ro, Yuseong-gu, Daejeon, 34141, Korea.

Angewandte Chemie (International Ed. in English)
|December 19, 2022
PubMed
Summary

We developed a new platform for screening cyclic peptide drugs. This method rapidly identified a potent inhibitor for human histone deacetylase 8 (HDAC8), accelerating drug discovery.

Keywords:
Cyclic Peptide InhibitorGenetic Code ExpansionWarhead-Bearing Unnatural Amino Acid

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Area of Science:

  • Biochemistry
  • Medicinal Chemistry
  • Drug Discovery

Background:

  • Peptide-based pharmaceuticals show increasing demand but face limited success.
  • Efficient screening methods are crucial for advancing peptide drug discovery.

Purpose of the Study:

  • To develop a general scheme for cell-based screening of cyclic peptide inhibitors.
  • To create a versatile platform for discovering novel peptide-based therapeutics.

Main Methods:

  • Developed the custom-designed warhead-armed cyclic peptide screening (CWCPS) platform.
  • Integrated unnatural amino acid incorporation and split intein-mediated peptide cyclization.
  • Utilized a yeast-based colorimetric screening assay for inhibitor identification.

Main Results:

  • Successfully discovered CY5-6Q, a potent inhibitor of human histone deacetylase 8 (HDAC8).
  • Achieved a high binding affinity with a KD value of 15 nM for CY5-6Q against HDAC8.
  • Demonstrated the CWCPS platform's efficacy in identifying targeted cyclic peptide inhibitors.

Conclusions:

  • The CWCPS platform offers a versatile and generalizable approach for discovering cyclic peptide inhibitors.
  • This strategy significantly expedites the identification of potent drug candidates.
  • The developed method holds promise for advancing peptide-based pharmaceutical development.