WSEAS Transactions on Biology and Biomedicine
Print ISSN: 1109-9518, E-ISSN: 2224-2902
Volume 15, 2018
Molecular Dynamics Simulation for the Interaction of Lysine
Dendrimers with Therapeutic Peptides. New Advances and New
Methods
Authors: , , ,
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.
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Pages: 8-15
WSEAS Transactions on Biology and Biomedicine, ISSN / E-ISSN: 1109-9518 / 2224-2902, Volume 15, 2018, Art. #2