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

ABSTRACT

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

DOI:-

Received: 28.06.2022

AUTHORS & AFFILIATIONS

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

[1]   G. Yamin, K. Ono, M. Inayathullah, D.B. Teplow. Amyloid betaprotein assembly as a therapeutic target of Alzheimer's disease. Curr. Pharm. Des., 2008, vol.14(30), p.3231-3246.
[2]   K. Beyreuther and C.L. Masters. 1997. Alzheimer’s disease: the ins andouts of amyloid-_. Nature. 389:677–678.
[3]   M.P. Mattson, B. Cheng, D. Davis, K. Bryant, I. Lieberburg, and R.E. Rydel. 1992. _-Amyloid peptides destabilize calcium homeostasis andrender human cortical neurons vulnerable to excitotoxicity. J. Neurosci. 12:376–389.
[4]   R.A. Scott, H.A. Scheraga. J.Chem.Phys., 45, 2091, 1966.
[5]   G.A. Agaeva, N.N. Kerimli, N.M. Godjayev. Biofizika, vol.50, № 2, p.203-14, 2005.
[6]   N.M. Godjaev, I.S. Maksumov, L.I. Ismailova. J.Chem.Struc. (Russian), 24, (1983)147-152.
[7]   IUPAC-IUB, Biochem.J. (1971) 121,577-585.
[8]   E.M. Popov. Quantitative approach to conformations of proteins // Int. J. Quant. Chem., 1979, v.16, pp. 707-737.
[9]   G.A. Agaeva, G.Z. Najafova, N.M. Godjaev. Simulation spatial structure of amyloid beta-peptide (31-35) determined by molecular mechanic method, Azerbaijan Journal of Physics, 2019, vol. XXV, № 2, pp. 31-36.
[10]  G.A. Agaeva, G.Z. Najafova. Conformational analysis of Aβ (25-28) and Aβ(28-31). III International Scientific Conference of Young Researchers. Azerbaijan, 2019, April, p.44-46.