Protein remains stable at unusually high temperatures when solvated in aqueous mixtures of amino acid based ionic liquids

Protein remains stable at unusually high temperatures when solvated in aqueous mixtures of amino acid based ionic liquids

Author Chevrot, Guillaume Google Scholar
Fileti, Eudes Eterno Autor UNIFESP Google Scholar
Chaban, Vitaly V. Autor UNIFESP Google Scholar
Abstract Using molecular dynamics simulations, we investigated the thermal stability and real-time denaturation of a model mini-protein in four solvents: (1) water, (2) 1-ethyl-3-methylimidazolium alaninate [EMIM][ALA] (5 mol% in water), (3) methioninate [EMIM][MET] (5 mol% in water), and (4) tryptophanate [EMIM][TRP] (5 mol% in water). Upon analyzing the radius of gyration, the solvent-accessible surface area, root-mean-squared deviations, and inter-and intramolecular hydrogen bonds, we found that the mini-protein remains stable at 30-40 K higher temperatures in aqueous amino acid based ionic liquids (AAILs) than in water. This thermal stability was correlated with the thermodynamics and shear viscosity of the AAIL-containing mixtures. These results suggest that AAILs are generally favorable for protein conservation.
Keywords Protein
Ionic liquid
Molecular dynamics
Denaturation
xmlui.dri2xhtml.METS-1.0.item-coverage New York
Language English
Sponsor Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
Date 2016
Published in Journal Of Molecular Modeling. New York, v. 22, n. 11, p. -, 2016.
ISSN 1610-2940 (Sherpa/Romeo, impact factor)
Publisher Springer
Extent -
Origin http://dx.doi.org/10.1007/s00894-016-3123-9
Access rights Closed access
Type Article
Web of Science ID WOS:000388847900004
URI https://repositorio.unifesp.br/handle/11600/56813

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