Author(s)

Elena Popova¹, Boris Okrugin², Igor Neelov^3,4

¹Research Institute of Hygiene, Occupational Pathology and Human Ecology, St. Petersburg, Russia.
²St. Petersburg State University, St. Petersburg, Russia.
³ITMO University, St. Petersburg, Russia.
⁴Institute of Macromolecular Compounds, Russian Academy of Sciences, St. Petersburg, Russia.

The possibility of complex formation by short lysine brush and therapeutic Semax peptides was investigated using molecular dynamics method. Lysine dendrimers and polymer brushes are used for drug and other (e.g., DNA, peptides, and polysaccharides) molecules delivery to different target cells. It is known that they could penetrate blood brain barrier. Since short lysine brush is nontoxic, a system containing of such brush and 8 oppositely charged Semax peptides was studied. It was obtained that stable complexes consisting of brush and peptides formed and structures of these complexes were investigated. Such complex can be used in future for delivery of Semax peptides to brain since these peptides have significant antioxidant, antihypoxic and neuroprotective effects.

Lysine Brush, Semax Peptides, Computer Simulation, Method of Molecular Dynamics

Popova, E. , Okrugin, B. and Neelov, I. (2016) Molecular Dynamics Simulation of Interaction of Short Lysine Brush and Oppositely Charged Semax Peptides. Natural Science, 8, 499-510. doi: 10.4236/ns.2016.812051.