WSEAS Transactions on Biology and Biomedicine


Print ISSN: 1109-9518
E-ISSN: 2224-2902

Volume 15, 2018

Notice: As of 2014 and for the forthcoming years, the publication frequency/periodicity of WSEAS Journals is adapted to the 'continuously updated' model. What this means is that instead of being separated into issues, new papers will be added on a continuous basis, allowing a more regular flow and shorter publication times. The papers will appear in reverse order, therefore the most recent one will be on top.



Interaction of Lysine Dendrimers with Therapeutic Peptides - Molecular Dynamics Simulation

AUTHORS: Igor Neelov, Elena Popova, Dilorom Khamidova, Irina I. Tarasenko

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ABSTRACT: Lysine dendrimers are often used for drug and other molecules delivery (e.g., DNA, peptides, and polysaccharides) to different target cells. In present study complexes of lysine dendrimers of second and third generations and two types of therapeutic regulatory peptides (Semax and Epithalon) were investigated. Our simulation demonstrates that the lysine dendrimer form complexes with these therapeutics peptides. It was shown that two types of interactions acts in complex formation in all three cases electrostatic and hydrophobic. It was also demonstrated, that electrostatic interactions between dendrimer and peptides in all complexes are stronger than hydrophobic. Structures of these complexes were investigated. It was also shown that switching off electrostatic interactions leads to the destruction of the complex and the release of peptides from it.

KEYWORDS: lysine dendrimers, Semax, Epithalon, computer simulation, molecular dynamics method

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WSEAS Transactions on Biology and Biomedicine, ISSN / E-ISSN: 1109-9518 / 2224-2902, Volume 15, 2018, Art. #2, pp. 8-15


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