Mechanistic understanding from molecular dynamics in pharmaceutical research 2: lipid membrane in drug design

T Róg, M Girych, A Bunker - Pharmaceuticals, 2021 - mdpi.com
We review the use of molecular dynamics (MD) simulation as a drug design tool in the
context of the role that the lipid membrane can play in drug action, ie, the interaction …

[HTML][HTML] Overview of myelin, major myelin lipids, and myelin-associated proteins

A Kister, I Kister - Frontiers in Chemistry, 2023 - frontiersin.org
Myelin is a modified cell membrane that forms a multilayer sheath around the axon. It retains
the main characteristics of biological membranes, such as lipid bilayer, but differs from them …

PEO-b-PBD Diblock Copolymers Induce Packing Defects in Lipid/Hybrid Membranes and Improve Insertion Rates of Natively Folded Peptides

J Steinkühler, ML Jacobs, MA Boyd… - …, 2022 - ACS Publications
Hybrid membranes assembled from biological lipids and synthetic polymers are a promising
scaffold for the reconstitution and utilization of membrane proteins. Recent observations …

In Vitro Membrane Platform for the Visualization of Water Impermeability across the Liquid-Ordered Phase under Hypertonic Conditions

JM Baek, WH Jung, ES Yu, DJ Ahn… - Journal of the American …, 2022 - ACS Publications
Passive water penetration across the cell membrane by osmotic diffusion is essential for the
homeostasis of cell volume, in addition to the protein-assisted active transportation of water …

[HTML][HTML] How stereochemistry of lipid components can affect lipid organization and the route of liposome internalization into cells

S Borocci, G Bozzuto, C Bombelli, F Ceccacci… - Nanoscale, 2021 - pubs.rsc.org
Though liposome-based drugs are in clinical use, the mechanism of cell internalization of
liposomes is yet an object of controversy. The present experimental investigation, carried out …

Oxidation of membrane lipids alters the activity of the human serotonin 1A receptor

A Elbaradei, Z Wang, N Malmstadt - Langmuir, 2022 - ACS Publications
Lipid oxidation has significant effects on lipid bilayer properties; these effects can be
expected to extend to interactions between the lipid bilayer and integral membrane proteins …

Cellular compartments challenged by membrane photo-oxidation

TM Tsubone, WK Martins, MSF Franco, MN Silva… - Archives of Biochemistry …, 2021 - Elsevier
The lipid composition impacts directly on the structure and function of the cytoplasmic as
well as organelle membranes. Depending on the type of membrane, specific lipids are …

Assessing Photosensitized Membrane Damage: Available Tools and Comprehensive Mechanisms

LG Rezende, TT Tasso, PHS Candido… - Photochemistry and …, 2022 - Wiley Online Library
Lipids are important targets of the photosensitized oxidation reactions, forming important
signaling molecules, disorganizing and permeabilizing membranes, and consequently …

[HTML][HTML] Photo-triggerable liposomes based on lipid-porphyrin conjugate and cholesterol combination: Formulation and mechanistic study on monolayers and bilayers

J Massiot, W Abuillan, O Konovalov, A Makky - Biochimica et Biophysica …, 2022 - Elsevier
Lipid-porphyrin conjugates are considered nowadays as promising building blocks for the
conception of drug delivery systems with multifunctional properties such as photothermal …

[HTML][HTML] Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations

M Ghasemitarei, T Ghorbi, M Yusupov, Y Zhang… - Biomolecules, 2023 - mdpi.com
Plasma medicine, or the biomedical application of cold atmospheric plasma (CAP), is an
expanding field within plasma research. CAP has demonstrated remarkable versatility in …