Study of Complexation of AED peptide and Lysine Based Dendrimer with HisArg Spacers

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Study of Complexation of AED peptide and Lysine Based Dendrimer with HisArg Spacers. / Михтанюк, Софья Егоровна; Безродный, Валерий Валерьевич; Вакулюк, Алексей Юрьевич; Неелов, Игорь Михайлович ; Шавыкин, Олег Валерьевич.

In: Biochemistry (Moscow) Supplement Series A: Membrane and Cell Biology, Vol. 19, No. 4, 14.11.2025, p. 474–480.

Research output: Contribution to journal › Conference article › peer-review

BibTeX

@article{35ae405953ef4b75b63b4f0e2a6579fa,

title = "Study of Complexation of AED peptide and Lysine Based Dendrimer with HisArg Spacers",

abstract = "Abstract: This study explores the interaction of bioactive AED tripeptide molecules with new lysine-based dendrimer KHR containing spacers consisting of two different amino acid residues (histidine-arginine, HR). Previous research has examined second-generation lysine dendrimers containing double charged lysine-lysine and arginine-arginine spacers as well as double hydrophobic alanine-alanine and leucine-leucine, and double pH-sensitive histidine-histidine spacers. Interactions of some of these dendrimers with several bioactive peptide, for example, AEDG were studied also. In this work, similar molecular dynamics simulations were conducted to study the complexation of 16 AED molecules with KHR dendrimer at two pH values: (a) pH > 7 with uncharged histidines and (b) pH < 5 with fully protonated histidines. Results indicate that dendrimer at both pH make complex with AED but dendrimer at smaller pH can accommodate more AED molecules.",

keywords = "drug delivery, molecular dynamics, peptide dendrimers, therapeutic oligopeptides",

author = "Михтанюк, {Софья Егоровна} and Безродный, {Валерий Валерьевич} and Вакулюк, {Алексей Юрьевич} and Неелов, {Игорь Михайлович} and Шавыкин, {Олег Валерьевич}",

year = "2025",

month = nov,

day = "14",

doi = "10.1134/s1990747825700461",

language = "English",

volume = "19",

pages = "474–480",

journal = "Biochemistry (Moscow) Supplement Series A: Membrane and Cell Biology",

issn = "1990-7478",

publisher = "МАИК {"}Наука/Интерпериодика{"}",

number = "4",

note = "INTERNATIONAL CONFERENCE BIOMEMBRANES 24 ; Conference date: 07-10-2024 Through 11-10-2024",

}

RIS

TY - JOUR

T1 - Study of Complexation of AED peptide and Lysine Based Dendrimer with HisArg Spacers

AU - Михтанюк, Софья Егоровна

AU - Безродный, Валерий Валерьевич

AU - Вакулюк, Алексей Юрьевич

AU - Неелов, Игорь Михайлович

AU - Шавыкин, Олег Валерьевич

PY - 2025/11/14

Y1 - 2025/11/14

N2 - Abstract: This study explores the interaction of bioactive AED tripeptide molecules with new lysine-based dendrimer KHR containing spacers consisting of two different amino acid residues (histidine-arginine, HR). Previous research has examined second-generation lysine dendrimers containing double charged lysine-lysine and arginine-arginine spacers as well as double hydrophobic alanine-alanine and leucine-leucine, and double pH-sensitive histidine-histidine spacers. Interactions of some of these dendrimers with several bioactive peptide, for example, AEDG were studied also. In this work, similar molecular dynamics simulations were conducted to study the complexation of 16 AED molecules with KHR dendrimer at two pH values: (a) pH > 7 with uncharged histidines and (b) pH < 5 with fully protonated histidines. Results indicate that dendrimer at both pH make complex with AED but dendrimer at smaller pH can accommodate more AED molecules.

AB - Abstract: This study explores the interaction of bioactive AED tripeptide molecules with new lysine-based dendrimer KHR containing spacers consisting of two different amino acid residues (histidine-arginine, HR). Previous research has examined second-generation lysine dendrimers containing double charged lysine-lysine and arginine-arginine spacers as well as double hydrophobic alanine-alanine and leucine-leucine, and double pH-sensitive histidine-histidine spacers. Interactions of some of these dendrimers with several bioactive peptide, for example, AEDG were studied also. In this work, similar molecular dynamics simulations were conducted to study the complexation of 16 AED molecules with KHR dendrimer at two pH values: (a) pH > 7 with uncharged histidines and (b) pH < 5 with fully protonated histidines. Results indicate that dendrimer at both pH make complex with AED but dendrimer at smaller pH can accommodate more AED molecules.

KW - drug delivery

KW - molecular dynamics

KW - peptide dendrimers

KW - therapeutic oligopeptides

UR - https://www.mendeley.com/catalogue/20a8322d-364c-3a69-9697-54102d577bee/

U2 - 10.1134/s1990747825700461

DO - 10.1134/s1990747825700461

M3 - Conference article

VL - 19

SP - 474

EP - 480

JO - Biochemistry (Moscow) Supplement Series A: Membrane and Cell Biology

JF - Biochemistry (Moscow) Supplement Series A: Membrane and Cell Biology

SN - 1990-7478

IS - 4

T2 - INTERNATIONAL CONFERENCE BIOMEMBRANES 24

Y2 - 7 October 2024 through 11 October 2024

ER -

ID: 137867738