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• W4205426692 endingPage "688" @default.
• W4205426692 startingPage "680" @default.
• W4205426692 abstract "Peptide-based biomaterials exhibit great potentials in developing drug delivery platforms due to their biocompatibility and biodegradability beyond poly(ethylene glycol). How different amino acids in peptides used for delivery play their roles is still unclear at the microscopic level. This work compared the assembly behaviors of a series of peptides around interferon-α (IFN-α). Through all-atom molecular simulations, the sequence effect of peptides on delivering interferon-α was quantitively characterized. The hydrophobic elastin-like peptide (VPGAG)n preferred to self-aggregate into dense clusters, rather than encapsulate IFN-α. The hydrophilic zwitterionic peptides with repeating unit KE tended to phase-separate from IFN-α in the mixture. In contrast, peptides with a hybrid sequence, i.e., (VPKEG)n, exhibited the highest contact preference, and the formed protective shell endowed IFN-α with better thermal stability and stealth property and achieved a subtle balance between protecting IFN-α and subsequent releasing. Further energy decomposition analysis revealed that the positively charged Lys contributed most to the binding affinity while the negatively charged Glu contributed most to the hydrophilic property of peptide-based materials. In summary, this article reveals why peptides composed of repeating hydrophobic and charged residues could be a potential choice for delivering therapeutic proteins in the form of solution." @default.
• W4205426692 created "2022-01-26" @default.
• W4205426692 creator A5006218414 @default.
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• W4205426692 date "2022-01-05" @default.
• W4205426692 modified "2023-09-27" @default.
• W4205426692 title "Sequence Effect of Peptide-Based Materials on Delivering Interferon-α (IFN-α): A Molecular Dynamic Perspective" @default.
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• W4205426692 doi "https://doi.org/10.1021/acs.langmuir.1c02515" @default.
• W4205426692 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34986309" @default.
• W4205426692 hasPublicationYear "2022" @default.
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