NMR-Guided Studies to Establish the Binding Interaction between a Peptoid and Protein.

ABSTRACT: Ligand discovery of nonenzymatic proteins can be accomplished through screening methods utilizing libraries comprising small molecules, peptides, and peptidomimetics. Incorporating peptoids, which are oligomers of N-substituted glycine monomers, into high-throughput screens can produce libraries of large structural diversity. Due to their malleable structures, peptoids can occupy unique protein binding sites, but determination of the peptoid binding pose is challenging. For example, the peptoid KDT-11 is reported to bind with low micromolar binding affinity to the proteasome subunit Rpn-13. Poor solubility of initial compound screening hits, like KDT-11, can greatly hinder progress in drug discovery since it limits in vitro characterization. The work reported here overcomes this hur

SUBMITTER: Muli CS 

PROVIDER: S-EPMC12310119 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature