Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Mechanistic understanding from molecular dynamics simulation in pharmaceutical research 1: drug delivery

A Bunker, T Róg - Frontiers in Molecular Biosciences, 2020 - frontiersin.org
In this review, we outline the growing role that molecular dynamics simulation is able to play
as a design tool in drug delivery. We cover both the pharmaceutical and computational …

Designing electrospun fiber platforms for efficient delivery of genetic material and genome editing tools

DL Puhl, D Mohanraj, DW Nelson, RJ Gilbert - Advanced drug delivery …, 2022 - Elsevier
Electrospun fibers are versatile biomaterial platforms with great potential to support
regeneration. Electrospun fiber characteristics such as fiber diameter, degree of alignment …

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 …

Folate targeted PEGylated liposomes for the oral delivery of insulin: In vitro and in vivo studies

JR Yazdi, M Tafaghodi, K Sadri, M Mashreghi… - Colloids and Surfaces B …, 2020 - Elsevier
In this study using phospholipids with high transition temperature and taking advantage of
PEGylation, we designed liposomal formulation targeted with folic acid (FA) to improve the …

[HTML][HTML] Microfluidic-assisted fabrication of phosphatidylcholine-based liposomes for controlled drug delivery of chemotherapeutics

L Gkionis, H Aojula, LK Harris, A Tirella - International journal of …, 2021 - Elsevier
Microfluidic enables precise control over the continuous mixing of fluid phases at the
micrometre scale, aiming to optimize the processing parameters and to facilitate scale-up …

PEGylation of a peptide-based amphiphilic delivery Agent and Influence on protein delivery to cells

AA Greschner, N Brahiti, M Auger, L Hu… - …, 2023 - ACS Publications
The cell membrane is a restrictive biological barrier, especially for large, charged molecules,
such as proteins. The use of cell-penetrating peptides (CPPs) can facilitate the delivery of …

Molecular simulations of PEGylated biomolecules, liposomes, and nanoparticles for drug delivery applications

H Lee - Pharmaceutics, 2020 - mdpi.com
Since the first polyethylene glycol (PEG) ylated protein was approved by the FDA in 1990,
PEGylation has been successfully applied to develop drug delivery systems through …

PEGylated liposomes as carriers of hydrophobic porphyrins

M Dzieciuch, S Rissanen, N Szydłowska… - The Journal of …, 2015 - ACS Publications
Sterically stabilized liposomes (SSLs)(PEGylated liposomes) are applied as effective drug
delivery vehicles. Understanding the interactions between hydrophobic compounds and …

Hypoxia-targeted cupric-tirapazamine liposomes potentiate radiotherapy in prostate cancer spheroids

VL Silva, A Ruiz, A Ali, S Pereira, J Seitsonen… - International journal of …, 2021 - Elsevier
In this study, novel cupric-tirapazamine [Cu (TPZ) 2]-liposomes were developed as an
effective hypoxia-targeted therapeutic, which potentiated radiotherapy in a three …