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EnglishProtein-based therapeutics may bind to interfaces during the freeze-drying process, possibly resulting in loss of activity. Here we investigate the mechanism by which surfactant molecules can counteract surface-induced denaturation through a detailed study of the stability of the GB1 peptide at the air-water, ice-water and silica-water interfaces. Using molecular dynamics simulations coupled with metadynamics we show that the amphiphilic nature of surfactants is key to their stabilizing/destabilizing effect, with an orientation-dependent mechanism in which the protein is stabilized when the hydrophilic heads of the surfactant point toward the protein.
Surface-driven denaturation of proteins during freeze-drying: An insight into the role of surfactants / Arsiccio, Andrea; McCarty, James; Shea, Joan-Emma; Pisano, Roberto. - STAMPA. - (2019), pp. 41-42. ((Intervento presentato al convegno 9th International Symposium on Lyophilization of Pharmaceuticals tenutosi a Ghent nel September 2-6, 2019.
| Titolo: | Surface-driven denaturation of proteins during freeze-drying: An insight into the role of surfactants | |
| Autori: | ||
| Data di pubblicazione: | 2019 | |
| Abstract: | Protein-based therapeutics may bind to interfaces during the freeze-drying process, possibly resu...lting in loss of activity. Here we investigate the mechanism by which surfactant molecules can counteract surface-induced denaturation through a detailed study of the stability of the GB1 peptide at the air-water, ice-water and silica-water interfaces. Using molecular dynamics simulations coupled with metadynamics we show that the amphiphilic nature of surfactants is key to their stabilizing/destabilizing effect, with an orientation-dependent mechanism in which the protein is stabilized when the hydrophilic heads of the surfactant point toward the protein. | |
| Appare nelle tipologie: | 4.1 Contributo in Atti di convegno |
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| File | Descrizione | Tipologia | Licenza | |
|---|---|---|---|---|
| ISLFD-2019_28_Andrea_ARSICCIO_abstract.pdf | 2a Post-print versione editoriale / Version of Record | PUBBLICO - Tutti i diritti riservati | Visibile a tuttiVisualizza/Apri |
http://hdl.handle.net/11583/2939698
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