Complexes and Conjugates of Lysine Dendrimer with Therapeutic Tetrapeptides. Molecular Dynamics Simulation

摘要

Comparison of properties of complexes and conjugates of lysine dendrimer with therapeutic tetrapeptides was carried out using molecular dynamics simulation. Dendrimers are usually 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 this study two systems consisting of one lysine dendrimer of the second generation and 16 therapeutic tetrapeptides were studied. In first system peptides were chemically connected to terminal groups of dendrimer by peptide bonds while in the second system the peptides were free at the beginning of simulation. It was obtained that in second system the peptides become adsorbed by dendrimer and forms stable nanocomplex with it. The size and structure of this nanocomplex was compared with size and structure of dendrimer-peptides conjugate. Similar complexes and conjugates could be used in future for delivery of different therapeutic peptides to the body.