Martini compatible coarse-grained model of polyethylenimine for pulmonary gene delivery.

ABSTRACT: Pulmonary gene delivery has demonstrated high specificity for respiratory diseases, offering great control on dosage of therapeutics and side effects. On the other hand, intrinsic barriers in pulmonary systems impose new challenges such as crossing the pulmonary surfactant and evading mucus entrapment. Differences in hydrophobicity of plasma membrane and pulmonary surfactant require different chemistries of gene carriers to improve efficacy. Large-scale coarse-grained (CG) molecular dynamics simulations would facilitate the screening of gene carriers and understanding of the molecular mechanisms involved in pulmonary delivery. Among non-viral carriers, polyethyleneimine (PEI) has been a promising candidate that can be synthesized with various molecular weight, degree of branching, and func

SUBMITTER: Lunt G 

PROVIDER: S-EPMC11799348 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature