Visualized and Quantitative Conformational Analysis of Peptidomimetics.

ABSTRACT: Protein-protein interactions (PPIs) are fundamentally important and challenging drug targets. Peptidomimetic molecules of various types have been developed to modulate PPIs. A particularly promising drug discovery strategy, structural peptidomimetics, was designed based on special mimicking of side-chain C_α-C_β bonds. It is simple and versatile. Nevertheless, no quantitative method has been established to evaluate its similarity to a target peptide motif. We developed two methods that enable visual, comprehensive, and quantitative analysis of peptidomimetics: peptide conformation distribution (PCD) plot and peptidomimetic analysis (PMA) map. These methods specifically examine multiple side-chain C_α-C_β bonds of a peptide fragment motif and their co

SUBMITTER: Takashima H 

PROVIDER: S-EPMC8515614 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature