Biomacromolecules· 2026Q1
Plasma Protein Association with High Drug-Loaded Polymer Micelles: An Atomistic Molecular Dynamics Study
- 0citations
- Q1SCImago
- 2026year
Short summary
Atomistic MD simulations reveal that poly(ethylene glycol) (pEG) micelles exhibit stronger plasma protein association compared to poly(N,N-dimethylacrylamide) (pDMAA) and poly(sarcosine) (pSAR) micelles, regardless of high curcumin loading (20-60%).
AI-generated from the title and abstract; the full text is not read.
Key points
- pEG micelles showed the strongest association with plasma proteins (ApoE, HSA, IgG).
- pDMAA and pSAR micelles exhibited weaker, surface-limited protein interactions.
- Protein association was assessed using contact areas, hydrogen bonds, and interaction energies.
- Simulations examined micelles with varying hydrophilic A-blocks (pEG, pDMAA, pSAR) and high drug loadings (20% and 60% curcumin).
AI-generated from the title and abstract; the full text is not read.
Abstract
Abstract Polymeric micelles are widely studied drug delivery platforms whose interactions with plasma proteins influence in vivo performance. However, the combined effects of non-pEG hydrophilic coronas and high drug loading on protein adsorption remain poorly understood. We performed all-atom molecular dynamics (MD) simulations to investigate the association of three plasma proteins: apolipoprotein E (ApoE), human serum albumin (HSA), and immunoglobulin G (IgG), with curcumin-loaded ABA triblock copolymer micelles. To isolate corona effects, micelles shared an hydrophobic core chemistry and differed only in the hydrophilic A-block: poly(ethylene glycol) (pEG), poly(N,N-dimethylacrylamide) (pDMAA), or poly(sarcosine) (pSAR). Two drug loadings (20% and 60% drug/polymer mass ratio) were examined. Binding was assessed via contact areas, hydrogen bonds, and interaction energies. pEG micelles showed the strongest protein association. pDMAA and pSAR exhibited weaker, surface-limited interactions. These simulations provide molecular-level insight into protein adsorption on drug-loaded polymeric micelles and compare alternative hydrophilic A-blocks to pEG.
The authors' abstract, as published at the source. Biomacromolecules, 2026 · DOI ↗
Continue with a free account
Ask the paper: 3 free questions a day about this paper; save it, get its citation, new summaries every day for your field. Takeaways are Premium.
Continue free on the webSign in with Google or Apple; no card needed. You come back to this paper.
On your phone:
Field: Biomaterials
BiomaterialsMaterials Science