Permeation of nanoparticles across the intestinal lipid membrane: dependence on shape and surface chemistry studied through molecular simulations

Nanoscale
Rakesh GuptaBeena Rai

Abstract

Nanoparticles are being explored for topical and oral drug delivery applications as they can cross various biological barriers, for example, the intestinal epithelium. The ability of nanoparticles to cross barriers depends on their morphological and surface properties such as size, surface chemistry and shape, among others. The effect of nanoparticle size on their membrane permeability has been well studied both experimentally and theoretically. However, less attention has been given to understand the role of nanoparticle shape in their translocation across biological barrier membranes. Here, we report on the influence of the nanoparticle's shape, surface chemistry and concentration on their permeation across a human intestinal apical cell membrane model. A representative multicomponent lipid bilayer model of the human intestinal apical membrane was built. The free energy of permeation of nanoparticles across the model lipid bilayer was calculated using multiple umbrella sampling simulations. The interaction of these nanoparticles with the model lipid bilayer was captured using extensive microsecond unrestrained molecular dynamics simulations. We observed that: (a) irrespective of the surface chemistry, the efficacy of nanopart...Continue Reading

References

Aug 23, 1988·Biochemistry·K Simons, G van Meer
Jan 1, 1988·Journal of Cellular Biochemistry·G van Meer, K Simons
Feb 1, 1996·Journal of Molecular Graphics·W HumphreyK Schulten
Mar 6, 1998·Pharmaceutical Research·A W LarhedE Björk
Jun 6, 2000·Advanced Drug Delivery Reviews·E AllémannR Gurny
Apr 2, 2003·Nature Reviews. Drug Discovery·Michael Goldberg, Isabel Gomez-Orellana
Oct 8, 2005·Journal of Computational Chemistry·David Van Der SpoelHerman J C Berendsen
Jun 5, 2007·Journal of Controlled Release : Official Journal of the Controlled Release Society·Julie A ChampionSamir Mitragotri
Jun 16, 2007·The Journal of Physical Chemistry. B·Siewert J MarrinkAlex H de Vries
Jul 26, 2008·Nature Nanotechnology·Jirasak Wong-EkkabutLuca Monticelli
Feb 21, 2009·Journal of Computational Chemistry·L MartínezJ M Martínez
Apr 7, 2009·Current Opinion in Structural Biology·Fatemeh Khalili-AraghiKlaus Schulten
May 9, 2009·Current Medical Research and Opinion·Alex Z FuLarry Radican
Jun 13, 2009·Recent Patents on Drug Delivery & Formulation·Himanshu GuptaAarti Sharma
Oct 22, 2009·Small·Ayush Verma, Francesco Stellacci
May 1, 2008·Indian Journal of Pharmaceutical Sciences·Jessy Shaji, V Patole
Jan 20, 2011·Proceedings of the National Academy of Sciences of the United States of America·Julio L SampaioAndrej Shevchenko
Nov 4, 2011·Nano Letters·Robert VáchaDaan Frenkel
Jan 4, 2012·Advanced Drug Delivery Reviews·Laura M EnsignJustin Hanes
Jan 17, 2012·Advanced Drug Delivery Reviews·El-Sayed Khafagy, Mariko Morishita
Oct 24, 2012·Langmuir : the ACS Journal of Surfaces and Colloids·Shikha Nangia, Radhakrishna Sureshkumar
Dec 6, 2012·Nature Nanotechnology·Marco P MonopoliKenneth A Dawson
Sep 24, 2013·Nature Nanotechnology·Stefan TenzerRoland H Stauber
Jan 5, 2014·Nano Letters·Sabyasachi DasguptaGerhard Gompper
Sep 18, 2014·Journal of the American Chemical Society·Helgi I IngólfssonSiewert J Marrink
May 28, 2015·Scientific Reports·Haizhen ZhangYu-qiang Ma
Jun 6, 2013·The Journal of Physical Chemistry Letters·Paraskevi GkekaPanagiotis Angelikopoulos
Oct 6, 2015·Journal of Controlled Release : Official Journal of the Controlled Release Society·Sunny KumarSamir Mitragotri
Nov 18, 2015·Journal of Chemical Theory and Computation·Tsjerk A WassenaarSiewert J Marrink
Mar 12, 2013·Journal of Chemical Theory and Computation·César A LópezSiewert J Marrink
Jan 8, 2013·Journal of Chemical Theory and Computation·Djurre H de JongSiewert J Marrink
Mar 1, 2008·Journal of Chemical Theory and Computation·Berk HessErik Lindahl
Jul 1, 2016·The Journal of Physical Chemistry. B·Rakesh Gupta, Beena Rai
Aug 3, 2016·Journal of Controlled Release : Official Journal of the Controlled Release Society·Amrita BanerjeeSamir Mitragotri
Jan 28, 2017·Scientific Reports·Michiru NishitaYasuhiro Minami

❮ Previous
Next ❯

Citations

Jan 25, 2021·Advanced Drug Delivery Reviews·Taskeen Iqbal JanjuaAmirali Popat
Dec 18, 2020·Frontiers in Molecular Biosciences·Alex Bunker, Tomasz Róg
Mar 7, 2021·Journal of Controlled Release : Official Journal of the Controlled Release Society·Tommaso Casalini
Aug 8, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Lucileno Rodrigues TrindadeVania Margaret Flosi Paschoalin
Aug 21, 2021·Langmuir : the ACS Journal of Surfaces and Colloids·Rabindranath Paul, Sandip Paul

❮ Previous
Next ❯

Software Mentioned

Martinize
GROMACS

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.