AUTHORS: Igor Neelov, Elena Popova

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ABSTRACT: Complexes of lysine dendrimer and nootropic Semax peptides were studied using molecular dynamics simulation. These dendrimers were used for drug and other molecules delivery to different cells. It was shown earlier that dendrimers and in particular lysine dendrimers could penetrate blood brain barrier. In present paper three systems containing lysine dendrimers of 2nd and 3rd generations and 8, 16 or 24 oppositely charged Semax peptides were studied. It was obtained that lysine dendrimers of both generations attracts Semax peptides and forms stable nanocomplexes with peptides. The sizes and structures of these nanocomplexes were investigated. These complexes can be used in future for delivery of Semax peptides to brain since these peptides have significant neuroprotective effects.

KEYWORDS: lysine dendrimer, Semax peptides, computer simulation, molecular dynamics

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