| Issue |
ITM Web Conf.
Volume 24, 2019
AMCSE 2018 - International Conference on Applied Mathematics, Computational Science and Systems Engineering
|
|
|---|---|---|
| Article Number | 02008 | |
| Number of page(s) | 4 | |
| Section | Computers | |
| DOI | https://doi.org/10.1051/itmconf/20192402008 | |
| Published online | 01 February 2019 | |
Computer simulation of complex of lysine dendrigraft with molecules of therapeutic KED peptide
ITMO University, Saint-Petersburg, 197101, Russian Federation
* Corresponding author: i.neelov@mail.ru
Lysine dendrimers and dendrigrafts are often used in biomedicine for drug and gene delivery to different target organs or cells. In present paper the possibility of complex formation by lysine dendrigraft and 16 molecules of therapeutic KED peptide was investigated using molecular dynamics simulation method. A system containing of one dendrigraftt and 16 KED peptides in water were studied. It was shown that stable complex consisting of the dendrigraft and the peptide molecules formed and structure of this complex was studied. Similar complexes could be used in future for delivery of other therapeutic peptides to target organs.
© The Authors, published by EDP Sciences, 2019
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