2022   03   en   p.11-15 G.Z. Najafova,
Simulation spatial structure of amyloid beta-peptide (28-35) determined by molecular mechanics method


Conformational properties of Alzheimer's β-amyloid (28-35) peptide have been studied by molecular mechanics method. Using a fragmentary approach, energy-efficient spatial structures of the molecule were identified. It has been shown that this peptide molecule forms a stable conformation with two different structures: one is a complete α-helical structure, and the other is a beta-freezing structure at the N-terminal complemented by a small alpha helix. Calculations The hypocritical angles of all residues in the low-energy conformations of the amyloid beta (28-35) peptide molecule and their orientations relative to each other were determined. Based on the obtained results, three-dimensional spatial structures of the amyloid-β (28-35) peptide molecule were modelled

Keywords: Amyloid beta peptide (28-35), conformation, α-helical structure, molecular mechanics.
PACS: 36.20. Ey; 87.15.Aa; 87.15.He


Received: 28.06.2022


UFAZ under Azerbaijan State Oil and Industry University, 183, Nizami str., Baku, Azerbaijan
E-mail: gulyaz.najafova@ufaz.az

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