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  • Structural and Dynamic Features of Interaction Between Alpha-Helical Transmembrane Peptides and Lipid Environment (According to Data Given by Molecular Modelling Method)

Structural and Dynamic Features of Interaction Between Alpha-Helical Transmembrane Peptides and Lipid Environment (According to Data Given by Molecular Modelling Method)

Student: Smirnov Kirill

Supervisor: Roman Efremov

Faculty: HSE Tikhonov Moscow Institute of Electronics and Mathematics (MIEM HSE)

Educational Programme: Applied Informatics (Bachelor)

Final Grade: 9

Year of Graduation: 2017

Neuraminidase-1 is a lysosomal glycohydrolytic enzyme present in almost all vertebrate tissues. Dysfunction of neuraminidase-1 is directly related to serious neurodegenerative genetic diseases. Recent research has shown that neuraminidase-1 has a specific membrane-bound form and reveals three potential transmembrane regions. This work is a complex study of the behavior of one of the predicted transmembrane domain of neuraminidase-1 in the lipid bilayer using molecular dynamics (MD) method. The goal is to analyze interactions between transmembrane peptide and its lipid environment. In this work, three 500-ns MD trajectories of the peptide incorporated into the hydrated lipid bilayer were obtained and analyzed. As a result, stability of the peptide alpha-helix conformation was demonstrated and the peptide-lipid interaction sites were found and characterized.

Full text (added May 25, 2017)

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