Promoting the formation of Pi-stacking interaction to improve CTL cells activation between modified peptide and HLA.

ABSTRACT:

Objective

This study aims to investigate the use of single residue substitution to promote the formation of pi-stacking interactions between peptides and Human leukocyte antigen (HLA)-A*2402 molecules to improve the affinity of peptides and HLA molecules, as well as the level of cytotoxic T lymphocyte (CTL) cells activated by peptides-HLA (p-HLA) complex.

Methods

Molecular docking and molecular dynamics simulation were used to simulate and analyze the interactions and binding free energies between HLA-A*2402-restricted antigen peptides and HLA molecules, before and after the single residue substitution. HLA-A*2402 restricted antigen peptides before and after the single residue replacement were loaded into dendritic cells (DCs) in vitro, and further Enzyme-Linked ImmunoSpot (

SUBMITTER: Zhu Y 

PROVIDER: S-EPMC9360904 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature