000266601 001__ 266601
000266601 005__ 20190710181254.0
000266601 022__ $$a0009-4293
000266601 02470 $$a000461834200018$$2isi
000266601 0247_ $$a10.2533/chimia.2019.78$$2doi
000266601 037__ $$aARTICLE
000266601 245__ $$aAn Atomistic Look into Bio-inspired Nanoparticles and their Molecular Interactions with Cells
000266601 269__ $$a2019-02-01
000266601 260__ $$c2019$$bSWISS CHEMICAL SOC$$aBern
000266601 336__ $$aJournal Articles
000266601 520__ $$aNanoparticles (NPs) have sizes that approach those of pathogens and they can interact with the membranes of eukaryotic cells in an analogous fashion. Typically, NPs are taken up by the cell via the plasma membrane by receptor-mediated processes and subsequently interact with various endomembranes. Unlike pathogens, however, NPs lack the remarkable specificity gained during the evolutionary process and their design and optimization remains an expensive and time-consuming undertaking, especially considering the limited information available on their molecular interactions with cells. In this context, molecular dynamics (MD) simulations have emerged as a promising strategy to investigate the mechanistic details of the interaction of NPs with mammalian or viral membranes. In particular, MD simulations have been extensively used to study the uptake process of NPs into the cell, focusing on membrane vesiculation, endocytic routes, or passive permeation processes. While such work is certainly relevant for understanding NP-cell interactions, it remains very difficult to determine the correspondence between generic models and the actual NP. Here, we review how chemically-specific MD simulations can provide rational guidelines towards further bio-inspired NP optimization.
000266601 650__ $$aChemistry, Multidisciplinary
000266601 650__ $$aChemistry
000266601 6531_ $$acellular membranes
000266601 6531_ $$amolecular dynamics
000266601 6531_ $$ananoparticle
000266601 6531_ $$agold nanoparticles
000266601 6531_ $$acellular uptake
000266601 6531_ $$ashape
000266601 700__ $$aPetretto, Emanuele
000266601 700__ $$aCampomanes, Pablo
000266601 700__ $$g196998$$aStellacci, Francesco$$0244724
000266601 700__ $$aRothen-Rutishauser, Barbara
000266601 700__ $$aPetri-Fink, Alke
000266601 700__ $$aVanni, Stefano
000266601 773__ $$tChimia$$q78-80$$k1$$j73
000266601 8560_ $$ffrancesco.stellacci@epfl.ch
000266601 909C0 $$yApproved$$pSUNMIL$$xU12173$$mfrancesco.stellacci@epfl.ch$$zMarselli, Béatrice$$0252323
000266601 909CO $$ooai:infoscience.epfl.ch:266601$$particle$$pSTI
000266601 961__ $$afantin.reichler@epfl.ch
000266601 973__ $$sPUBLISHED$$rREVIEWED$$aEPFL
000266601 980__ $$aARTICLE
000266601 980__ $$aWoS
000266601 981__ $$aoverwrite