Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids
Samo za registrovane korisnike
2017
Autori
Ninković, DraganMalenov, Dušan P.
Petrović, Predrag
Brothers, Edward N.
Niu, Shuqiang
Hall, Michael B.
Belić, Milivoj R.
Zarić, Snežana D.
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
The role of aromatic and nonaromatic amino acids in amyloid formation has been elucidated by calculating interaction energies between -sheets in amyloid model systems using density functional theory (B3LYP-D3/6-31G*). The model systems were based on experimental crystal structures of two types of amyloids: (1)with aromatic amino acids, and (2)without aromatic amino acids. Data show that these two types of amyloids have similar interaction energies, supporting experimental findings that aromatic amino acids are not essential for amyloid formation. However, different factors contribute to the stability of these two types of amyloids. In the former, the presence of aromatic amino acids significantly contributes to the strength of interactions between side chains; interactions between aromatic and aliphatic side chains are the strongest, followed by aromatic-aromatic interactions, while aliphatic-aliphatic interactions are the weakest. In the latter, that is, the amyloids without aromatic ...residues, stability is provided by interactions of aliphatic side chains with the backbone and, in some cases, by hydrogen bonds.
Ključne reči:
Alzheimer's disease / amyloid beta-peptides / density functional calculations / noncovalent interactions / protein-protein interactionsIzvor:
Chemistry. A European Journal, 2017, 23, 46, 11046-11053Izdavač:
- 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)
- Qatar Foundation for Education, Science and Community Development
- NPRP grant from the Qatar National Research Fund (a member of the Qatar Foundation) [NPRP8-425-1-087]
Napomena:
- Peer-reviewed manuscript: http://cherry.chem.bg.ac.rs/handle/123456789/3118
- Supplementary material: http://cherry.chem.bg.ac.rs/handle/123456789/3119
DOI: 10.1002/chem.201701351
ISSN: 0947-6539
PubMed: 28657155
WoS: 000407803400016
Scopus: 2-s2.0-85027524679
Institucija/grupa
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Ninković, Dragan AU - Malenov, Dušan P. AU - Petrović, Predrag AU - Brothers, Edward N. AU - Niu, Shuqiang AU - Hall, Michael B. AU - Belić, Milivoj R. AU - Zarić, Snežana D. PY - 2017 UR - https://cherry.chem.bg.ac.rs/handle/123456789/2506 AB - The role of aromatic and nonaromatic amino acids in amyloid formation has been elucidated by calculating interaction energies between -sheets in amyloid model systems using density functional theory (B3LYP-D3/6-31G*). The model systems were based on experimental crystal structures of two types of amyloids: (1)with aromatic amino acids, and (2)without aromatic amino acids. Data show that these two types of amyloids have similar interaction energies, supporting experimental findings that aromatic amino acids are not essential for amyloid formation. However, different factors contribute to the stability of these two types of amyloids. In the former, the presence of aromatic amino acids significantly contributes to the strength of interactions between side chains; interactions between aromatic and aliphatic side chains are the strongest, followed by aromatic-aromatic interactions, while aliphatic-aliphatic interactions are the weakest. In the latter, that is, the amyloids without aromatic residues, stability is provided by interactions of aliphatic side chains with the backbone and, in some cases, by hydrogen bonds. PB - Wiley-V C H Verlag Gmbh, Weinheim T2 - Chemistry. A European Journal T1 - Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids VL - 23 IS - 46 SP - 11046 EP - 11053 DO - 10.1002/chem.201701351 ER -
@article{ author = "Ninković, Dragan and Malenov, Dušan P. and Petrović, Predrag and Brothers, Edward N. and Niu, Shuqiang and Hall, Michael B. and Belić, Milivoj R. and Zarić, Snežana D.", year = "2017", abstract = "The role of aromatic and nonaromatic amino acids in amyloid formation has been elucidated by calculating interaction energies between -sheets in amyloid model systems using density functional theory (B3LYP-D3/6-31G*). The model systems were based on experimental crystal structures of two types of amyloids: (1)with aromatic amino acids, and (2)without aromatic amino acids. Data show that these two types of amyloids have similar interaction energies, supporting experimental findings that aromatic amino acids are not essential for amyloid formation. However, different factors contribute to the stability of these two types of amyloids. In the former, the presence of aromatic amino acids significantly contributes to the strength of interactions between side chains; interactions between aromatic and aliphatic side chains are the strongest, followed by aromatic-aromatic interactions, while aliphatic-aliphatic interactions are the weakest. In the latter, that is, the amyloids without aromatic residues, stability is provided by interactions of aliphatic side chains with the backbone and, in some cases, by hydrogen bonds.", publisher = "Wiley-V C H Verlag Gmbh, Weinheim", journal = "Chemistry. A European Journal", title = "Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids", volume = "23", number = "46", pages = "11046-11053", doi = "10.1002/chem.201701351" }
Ninković, D., Malenov, D. P., Petrović, P., Brothers, E. N., Niu, S., Hall, M. B., Belić, M. R.,& Zarić, S. D.. (2017). Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids. in Chemistry. A European Journal Wiley-V C H Verlag Gmbh, Weinheim., 23(46), 11046-11053. https://doi.org/10.1002/chem.201701351
Ninković D, Malenov DP, Petrović P, Brothers EN, Niu S, Hall MB, Belić MR, Zarić SD. Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids. in Chemistry. A European Journal. 2017;23(46):11046-11053. doi:10.1002/chem.201701351 .
Ninković, Dragan, Malenov, Dušan P., Petrović, Predrag, Brothers, Edward N., Niu, Shuqiang, Hall, Michael B., Belić, Milivoj R., Zarić, Snežana D., "Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids" in Chemistry. A European Journal, 23, no. 46 (2017):11046-11053, https://doi.org/10.1002/chem.201701351 . .