Липид-опосредованная адаптация белков и пептидов в клеточных мембранах

Биологические мембраны. 2024. Т. 41. № 4. С. 403–421.

Полянский А. А., Efremov R.

The paper overviews the results of computational studies of the molecular mechanisms underlying
the adaptation of model cell membranes taking place during their interaction with proteins and peptides. We
discuss changes in the structural and dynamic parameters of the water–lipid environment, the hydrophobic/
hydrophilic organization of the lipid bilayer surface (the so-called “mosaicity”), etc. Taken together,
these effects are called the “membrane response” (MR) and constitute the most important ability of the cell
membranes to respond specifically and consistently to the incorporation of extraneous agents, primarily proteins
and peptides, and their subsequent functioning. The results of the authors' long-term research in the
field of molecular modeling of MR processes with various spatial and temporal characteristics are described,
from the effects of binding of individual lipid molecules to proteins to changes in the integral macroscopic
parameters of membranes. The bulk of the results were obtained using the “dynamic molecular portrait”
approach developed by the authors. The biological role of the observed phenomena and potential ways of
rationally designing artificial membrane systems with specified MR characteristics are discussed. This, in
turn, is important for targeted changes in the activity profile of proteins and peptides exerting action on
biomembranes, not least as promising pharmacological agents.

Keywords: компьютерное моделирование, молекулярная динамика, membrane proteins, мембранные белки, computer modeling, белок-липидные взаимодействия, molecular dynamics simulations, “membrane response”, Молекулярно-биофизическая платформа, Dynamic molecular portrait, molecular biophysics platform, protein–lipid interactions, «мембранный ответ»