Rational peptide design for regulating liquid-liquid phase separation on the basis of residue-residue contact energy.

ABSTRACT: Since liquid-liquid phase separation (LLPS) of proteins is governed by their intrinsically disordered regions (IDRs), it can be controlled by LLPS-regulators that bind to the IDRs. The artificial design of LLPS-regulators based on this mechanism can be leveraged in biological and therapeutic applications. However, the fabrication of artificial LLPS-regulators remains challenging. Peptides are promising candidates for artificial LLPS-regulators because of their ability to potentially bind to IDRs complementarily. In this study, we provide a rational peptide design methodology for targeting IDRs based on residue-residue contact energy obtained using molecular dynamics (MD) simulations. This methodology provides rational peptide sequences that function as LLPS regulators. The peptides designe

SUBMITTER: Kamagata K 

PROVIDER: S-EPMC9374670 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature