Insight into the Interactions of Amyloid -Sheets with Graphene Flakes: Scrutinizing the Role of Aromatic Residues in Amyloids that Interact with Graphene
Apstrakt
The interaction of amyloid -sheet segments with graphene-flake models is investigated by using DFT calculations. The structure of -sheets of selected amyloid segments is based on crystal structures obtained from the Protein Data Bank. Our study, based on DFT calculations for model systems, indicates that the interaction in amyloid-graphene aggregates can be stronger than the interaction in the respective amyloid-amyloid aggregates. The results also indicate an important specific role of aromatic sidechains in amyloid-graphene interactions. This work confirms recent experimental evidence that graphene and its modifications inhibit the aggregation of -amyloid peptides.
Ključne reči:
aggregation / amyloid beta-peptides / density functional calculations / graphene / noncovalent interactionsIzvor:
Chemphyschem, 2018, 19, 10, 1226-1233Izdavač:
- Wiley-V C H Verlag Gmbh, Weinheim
Finansiranje / projekti:
- Nekovalentne interakcije pi-sistema i njihova uloga u molekulskom prepoznavanju (RS-MESTD-Basic Research (BR or ON)-172065)
- NPRP from the Qatar National Research Fund (a member of The Qatar Foundation) [NPRP7-665-1-125, NPRP8-425-1-087]
Napomena:
- This is peer-reviewed version of the following article: Božinovski, D. M.; Petrović, P. V.; Belić, M. R.; Zarić, S. D. Insight into the Interactions of Amyloid β-Sheets with Graphene Flakes: Scrutinizing the Role of Aromatic Residues in Amyloids That Interact with Graphene. ChemPhysChem 2018, 19 (10), 1226–1233. https://doi.org/10.1002/cphc.201700847
- Supplementary material: http://cherry.chem.bg.ac.rs/handle/123456789/3227
DOI: 10.1002/cphc.201700847
ISSN: 1439-4235
PubMed: 28949054
WoS: 000434077800012
Scopus: 2-s2.0-85048034805
Kolekcije
Institucija/grupa
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Božinovski, Dragana M. AU - Petrović, Predrag AU - Belić, Milivoj R. AU - Zarić, Snežana D. PY - 2018 UR - https://cherry.chem.bg.ac.rs/handle/123456789/3226 AB - The interaction of amyloid -sheet segments with graphene-flake models is investigated by using DFT calculations. The structure of -sheets of selected amyloid segments is based on crystal structures obtained from the Protein Data Bank. Our study, based on DFT calculations for model systems, indicates that the interaction in amyloid-graphene aggregates can be stronger than the interaction in the respective amyloid-amyloid aggregates. The results also indicate an important specific role of aromatic sidechains in amyloid-graphene interactions. This work confirms recent experimental evidence that graphene and its modifications inhibit the aggregation of -amyloid peptides. PB - Wiley-V C H Verlag Gmbh, Weinheim T2 - Chemphyschem T1 - Insight into the Interactions of Amyloid -Sheets with Graphene Flakes: Scrutinizing the Role of Aromatic Residues in Amyloids that Interact with Graphene VL - 19 IS - 10 SP - 1226 EP - 1233 DO - 10.1002/cphc.201700847 ER -
@article{ author = "Božinovski, Dragana M. and Petrović, Predrag and Belić, Milivoj R. and Zarić, Snežana D.", year = "2018", abstract = "The interaction of amyloid -sheet segments with graphene-flake models is investigated by using DFT calculations. The structure of -sheets of selected amyloid segments is based on crystal structures obtained from the Protein Data Bank. Our study, based on DFT calculations for model systems, indicates that the interaction in amyloid-graphene aggregates can be stronger than the interaction in the respective amyloid-amyloid aggregates. The results also indicate an important specific role of aromatic sidechains in amyloid-graphene interactions. This work confirms recent experimental evidence that graphene and its modifications inhibit the aggregation of -amyloid peptides.", publisher = "Wiley-V C H Verlag Gmbh, Weinheim", journal = "Chemphyschem", title = "Insight into the Interactions of Amyloid -Sheets with Graphene Flakes: Scrutinizing the Role of Aromatic Residues in Amyloids that Interact with Graphene", volume = "19", number = "10", pages = "1226-1233", doi = "10.1002/cphc.201700847" }
Božinovski, D. M., Petrović, P., Belić, M. R.,& Zarić, S. D.. (2018). Insight into the Interactions of Amyloid -Sheets with Graphene Flakes: Scrutinizing the Role of Aromatic Residues in Amyloids that Interact with Graphene. in Chemphyschem Wiley-V C H Verlag Gmbh, Weinheim., 19(10), 1226-1233. https://doi.org/10.1002/cphc.201700847
Božinovski DM, Petrović P, Belić MR, Zarić SD. Insight into the Interactions of Amyloid -Sheets with Graphene Flakes: Scrutinizing the Role of Aromatic Residues in Amyloids that Interact with Graphene. in Chemphyschem. 2018;19(10):1226-1233. doi:10.1002/cphc.201700847 .
Božinovski, Dragana M., Petrović, Predrag, Belić, Milivoj R., Zarić, Snežana D., "Insight into the Interactions of Amyloid -Sheets with Graphene Flakes: Scrutinizing the Role of Aromatic Residues in Amyloids that Interact with Graphene" in Chemphyschem, 19, no. 10 (2018):1226-1233, https://doi.org/10.1002/cphc.201700847 . .