Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Lysine Dendrigraft Nanocontainers. Influence of Topology on Their Size and Internal Structure. / Okrugin, Boris; Ilyash, Maxim; Markelov, Denis; Neelov, Igor.
в: Pharmaceutics, Том 10, № 3, 129, 09.2018.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Lysine Dendrigraft Nanocontainers. Influence of Topology on Their Size and Internal Structure
AU - Okrugin, Boris
AU - Ilyash, Maxim
AU - Markelov, Denis
AU - Neelov, Igor
PY - 2018/9
Y1 - 2018/9
N2 - Poly-l-ysine dendrigrafts are promising systems for biomedical applications due to their biodegradability, biocompatibility, and similarity to dendrimers. There are many papers about the use of dendrigrafts as nanocontainers for drug delivery. At the same time, the number of studies about their physical properties is limited, and computer simulations of dendrigrafts are almost absent. This paper presents the results of a systematic molecular dynamics simulation study of third-generation lysine dendrigrafts with different topologies. The size and internal structures of the dendrigrafts were calculated. We discovered that the size of dendrigrafts of the same molecular weight depends on their topology. The shape of all studied dendrigrafts is close to spherical. Density profile of dendrigrafts depends on their topology.
AB - Poly-l-ysine dendrigrafts are promising systems for biomedical applications due to their biodegradability, biocompatibility, and similarity to dendrimers. There are many papers about the use of dendrigrafts as nanocontainers for drug delivery. At the same time, the number of studies about their physical properties is limited, and computer simulations of dendrigrafts are almost absent. This paper presents the results of a systematic molecular dynamics simulation study of third-generation lysine dendrigrafts with different topologies. The size and internal structures of the dendrigrafts were calculated. We discovered that the size of dendrigrafts of the same molecular weight depends on their topology. The shape of all studied dendrigrafts is close to spherical. Density profile of dendrigrafts depends on their topology.
KW - Dendrigrafts
KW - Molecular dynamics simulation
KW - Poly-L-lysine
KW - LATTICE NMR RELAXATION
KW - MANIFESTATION
KW - molecular dynamics simulation
KW - dendrigrafts
KW - MOLECULAR-DYNAMICS SIMULATION
KW - POLYELECTROLYTE
KW - BROWNIAN DYNAMICS
KW - CONFORMATIONS
KW - PEPTIDE DENDRIMERS
KW - poly-L-lysine
KW - POLY-L-LYSINE
KW - CARBOSILANE DENDRIMER
KW - ELONGATIONAL FLOW
UR - http://www.scopus.com/inward/record.url?scp=85052111603&partnerID=8YFLogxK
U2 - 10.3390/pharmaceutics10030129
DO - 10.3390/pharmaceutics10030129
M3 - Article
C2 - 30104488
VL - 10
JO - Pharmaceutics
JF - Pharmaceutics
SN - 1999-4923
IS - 3
M1 - 129
ER -
ID: 30564547