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• W2911204545 abstract "The present work is motivated by the established concept that the structure and energetics of biomacromolecules can be modulated by confining their dimensions in the nanoscale. In particular, here we use force-field methods to understand the stability of amyloid fibrils at nanostructured interfaces, which can be useful for the development of new therapeutics for Alzheimer's disease. We explore the binding modes and structural properties of fibrils at the interface of molybdenum disulphide nanotubes and the nanosurface using classical molecular dynamics simulations. We find that in general the MoS2 materials induces disruptions in the structure of the amyloid fibrils where the beta sheet conformation of the fibrils changes to a turned conformation, and it is large in the case of nanotubes in comparison to the nanosurfaces. The intermolecular hydrogen bonds, hydrophilic and hydrophobic contacts between the monomer peptides in the fibril are reduced due to their adsorption onto the MoS2 materials, which results in a destabilization of the fibril. The destabilization of fibril is to some extent compensated for by the van der Waals interactions between the fibril and MoS2. Overall the results indicate that MoS2-based materials can be useful in inhibiting the aggregation of smaller protofibrils to matured fibrils and to bust the already formed fibrils. Therapeutic materials should not exhibit any cross interaction with other off-targets compounds. In order to test whether the MoS2 nanomaterial has any such effect we have studied its interaction with two additional biomacromolecules, the human serum albumin and p53 protein, and we report no significant changes in the secondary structure of these biomolecules. Through molecular docking studies we also established that the drug binding ability of HSA is not altered by its surface binding to MoS2 nanosurface." @default.
• W2911204545 created "2019-01-25" @default.
• W2911204545 creator A5029720979 @default.
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• W2911204545 creator A5053665869 @default.
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• W2911204545 date "2019-01-01" @default.
• W2911204545 modified "2023-10-15" @default.
• W2911204545 title "Destabilization of amyloid fibrils on interaction with MoS₂-based nanomaterials" @default.
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• W2911204545 cites W1975492392 @default.
• W2911204545 cites W1977956532 @default.
• W2911204545 cites W1978498560 @default.
• W2911204545 cites W1980441015 @default.
• W2911204545 cites W1981021420 @default.
• W2911204545 cites W1985263866 @default.
• W2911204545 cites W1987066756 @default.
• W2911204545 cites W1992187783 @default.
• W2911204545 cites W1994321237 @default.
• W2911204545 cites W1995319721 @default.
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• W2911204545 cites W2001386023 @default.
• W2911204545 cites W2003023209 @default.
• W2911204545 cites W2003136595 @default.
• W2911204545 cites W2008708467 @default.
• W2911204545 cites W2011586981 @default.
• W2911204545 cites W2014520750 @default.
• W2911204545 cites W2023531011 @default.
• W2911204545 cites W2029667189 @default.
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• W2911204545 cites W2057477511 @default.
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• W2911204545 cites W2079206873 @default.
• W2911204545 cites W2081693079 @default.
• W2911204545 cites W2081881251 @default.
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• W2911204545 cites W2130149135 @default.
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• W2911204545 doi "https://doi.org/10.1039/c8ra10184a" @default.
• W2911204545 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35518018" @default.
• W2911204545 hasPublicationYear "2019" @default.
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