Rational design of Harakiri (HRK)-derived constrained peptides as BCL-x L inhibitors.

Peiyu Zhang Martin Walko Andrew J Wilson

Published in: Chemical communications (Cambridge, England) (2023)

Using the HRK BH3 domain, sequence hybridization and in silico methods we show dibromomaleimide staple scanning can be used to inform the design of BCL-x L selective peptidomimetic ligands. These HRK-inspired reagents may serve as starting points for the discovery of therapeutics to target BCL-x L -overexpressed cancers.

Keyphrases

small molecule
high resolution
molecular docking
amino acid
electron microscopy
single cell
molecular dynamics simulations