Analysis of Models of Monomeric and Protofibrillary Forms of β-amyloid Peptide in Combination with a New Representative of Nitrogen-Containing Heterocycles
https://doi.org/10.33647/2074-5982-21-4-114-118
Abstract
Accumulation of beta-amyloid peptide (Aß) in the brain followed by the formation of fibrils is a key factor in the progression of Alzheimer's disease (AD). One therapeutic strategy for AD consists in inhibition of fibrillation in its early stages. Today, a large body of research data has been accumulated indicating the ability of nitrogen-containing heterocycles with various substituents to directly bind to Aβ and inhibit its oligomerization. In this work, we consider a new representative of this class of substances – a pyrido-1,3,5-triazine derivative (AAD82) – and construct models of ADD82 complexes with monomeric and protofibrillar forms of Aβ. The correlation of the set of amino acid residues involved in the formation of such a complex, as well as the total energy of its formation, are analyzed.
Keywords
Supporting agencies: the research was funded by the Russian Science Foundation grant No. 20-74-10072
About the Authors
E. I. Deryusheva
Institute for Biological Instrumentation, Pushchino Scientific Center for Biological Research of the Russian Academy of Sciences
Russian Federation
Russian Federation
Evgeniya I. Deryusheva, Cand. Sci. (Phis.Math.)
142290, Moscow Region, Pushchino, Institutskaya Str., 7
V. D. Alikova
Institute for Biological Instrumentation, Pushchino Scientific Center for Biological Research of the Russian Academy of Sciences
Russian Federation
Russian Federation
Valeria D. Alikova
142290, Moscow Region, Pushchino, Institutskaya Str., 7
E. A. Litus
Institute for Biological Instrumentation, Pushchino Scientific Center for Biological Research of the Russian Academy of Sciences
Russian Federation
Russian Federation
Ekaterina A. Litus, Cand. Sci. (Med.)
142290, Moscow Region, Pushchino, Institutskaya Str., 7
A. A. Dolganov
Kuban State University
Russian Federation
Russian Federation
Dolganov Aleksey Alekseevich
350040, Krasnodar Region, Krasnodar, Stavropolskaya Str., 149
V. V. Dotsenko
Kuban State University
Russian Federation
Russian Federation
Viktor V. Dotsenko, Dr. Sci. (Chem.)
350040, Krasnodar Region, Krasnodar, Stavropolskaya Str., 149
M. P. Shevelyova
Institute for Biological Instrumentation, Pushchino Scientific Center for Biological Research of the Russian Academy of Sciences
Russian Federation
Russian Federation
Marina P. Shevelyova, Cand. Sci. (Chem.)
142290, Moscow Region, Pushchino, Institutskaya Str., 7
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Review
For citations:
Deryusheva E.I., Alikova V.D., Litus E.A., Dolganov A.A., Dotsenko V.V., Shevelyova M.P. Analysis of Models of Monomeric and Protofibrillary Forms of β-amyloid Peptide in Combination with a New Representative of Nitrogen-Containing Heterocycles. Journal Biomed. 2025;21(4):114-118. (In Russ.) https://doi.org/10.33647/2074-5982-21-4-114-118
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