Artificial intelligence-guided design of LNPs for in vivo targeted mRNA delivery via analysis of the spatial conformation of ionizable lipids - PubMed
3 hours ago
- #lipid nanoparticles
- #AI-guided design
- #mRNA delivery
- AI-guided design of LNPs for targeted mRNA delivery by analyzing ionizable lipid spatial conformation.
- Library of lipids with diverse components created to study 3D conformations and their impact on delivery efficiency and organ specificity.
- Molecular dynamics simulations and experimental validation highlight the importance of head and tail arrangements.
- Dynamic conformation data converted into 2D density images to train machine learning models for lipid selection.
- AI-identified lipid P1 showed stable cone-shaped conformations, promoting IgM protein corona formation and spleen-targeted mRNA delivery.
- P1-based mRNA vaccines in preclinical models triggered strong immune responses and tumor suppression.
- Patent applications filed by authors related to the study, with some holding equity in Messerna BioTech.
- Funding provided by National Science Foundation of China and Beijing Natural Science Foundation.