Molecular dynamics study of the internalization of cell-penetrating peptides containing unnatural amino acids across membranes.

ABSTRACT: Peptide-based delivery systems that deliver target molecules into cells have been gaining traction. These systems need cell-penetrating peptides (CPPs), which have the remarkable ability to penetrate into biological membranes and help internalize different cargoes into cells through the cell membranes. The molecular internalization mechanism and structure-function relationships of CPPs are not clear, although the incorporation of nonproteinogenic amino acids such as α-aminoisobutyric acid (Aib) has been reported to increase their helicity, biostability and penetration efficiencies. Here, we used molecular dynamics to study two Aib-containing CPPs, poly(LysAibAla)₃ (KAibA) and poly(LysAibGly)₃ (KAibG), that previously showed high cell internalization efficiency. KAibA

SUBMITTER: Gimenez-Dejoz J 

PROVIDER: S-EPMC9419563 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature