Health & Environmental Research Online (HERO)


Print Feedback Export to File
4274597 
Journal Article 
Unexpected Importance of Aromatic-Aliphatic and Aliphatic Side Chain-Backbone Interactions in the Stability of Amyloids 
Ninković, DB; Malenov, DP; Petrović, PV; Brothers, EN; Niu, S; Hall, MB; Belić, MR; Zarić, SD 
2017 
Yes 
Chemistry: A European Journal
ISSN: 0947-6539
EISSN: 1521-3765 
23 
46 
11046-11053 
English 
28657155 
WOS:000407803400016 
The role of aromatic and nonaromatic amino acids in amyloid formation has been elucidated by calculating interaction energies between β-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.