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 …

Assessment of PEG on polymeric particles surface, a key step in drug carrier translation

JM Rabanel, P Hildgen, X Banquy - Journal of controlled release, 2014 - Elsevier
Injectable drug nanocarriers have greatly benefited in their clinical development from the
addition of a superficial hydrophilic corona to improve their cargo pharmacokinetics. The …

Theoretical and computational investigations of nanoparticle–biomembrane interactions in cellular delivery

H Ding, Y Ma - Small, 2015 - Wiley Online Library
With the rapid development of nanotechnology, nanoparticles have been widely used in
many applications such as phototherapy, cell imaging, and drug/gene delivery. A better …

[HTML][HTML] A quantitative view on multivalent nanomedicine targeting

L Woythe, NB Tito, L Albertazzi - Advanced drug delivery reviews, 2021 - Elsevier
Although the concept of selective delivery has been postulated over 100 years ago, no
targeted nanomedicine has been clinically approved so far. Nanoparticles modified with …

[HTML][HTML] Computational and experimental approaches for investigating nanoparticle-based drug delivery systems

M Ramezanpour, SSW Leung… - … et Biophysica Acta (BBA …, 2016 - Elsevier
Most therapeutic agents suffer from poor solubility, rapid clearance from the blood stream, a
lack of targeting, and often poor translocation ability across cell membranes. Drug/gene …

Methotrexate–camptothecin prodrug nanoassemblies as a versatile nanoplatform for biomodal imaging-guided self-active targeted and synergistic chemotherapy

Y Li, J Lin, J Ma, L Song, H Lin, B Tang… - … applied materials & …, 2017 - ACS Publications
“All-in-one” carrier-free-based nano-multi-drug self-delivery system could combine triple
advantages of small molecules, nanoscale characteristics, and synergistic combination …

Engineering gram selectivity of mixed‐charge gold nanoparticles by tuning the balance of surface charges

PP Pillai, B Kowalczyk… - Angewandte Chemie …, 2016 - Wiley Online Library
Nanoparticles covered with ligand shells comprising both positively and negatively charged
ligands exhibit Gram‐selective antibacterial action controlled by a single experimental …

A dynamic, supramolecular view on the multivalent interaction between influenza virus and host cell

NJ Overeem, E van der Vries, J Huskens - Small, 2021 - Wiley Online Library
Understanding how influenza viruses traverse the mucus and recognize host cells is critical
for evaluating their zoonotic potential, and for prevention and treatment of the disease. The …

Tumor microenvironment cascade-responsive nanodrug with self-targeting activation and ROS regeneration for synergistic oxidation-chemotherapy

Y Li, J Lin, P Wang, Q Luo, F Zhu, Y Zhang, Z Hou… - Nano-Micro Letters, 2020 - Springer
Carrier-free nanodrug with exceptionally high drug payload has attracted increasing
attentions. Herein, we construct a pH/ROS cascade-responsive nanodrug which could …

Multivalent weak interactions enhance selectivity of interparticle binding

MRW Scheepers, LJ van IJzendoorn… - Proceedings of the …, 2020 - National Acad Sciences
Targeted drug delivery critically depends on the binding selectivity of cargo-transporting
colloidal particles. Extensive theoretical work has shown that two factors are necessary to …