Influence of nanotube section on carboplatin confinement

Journal of Molecular Modeling
J BentinFabien Picaud

Abstract

The confinement of anticancer carboplatin molecules (CBPT) in boron nitride nanotubes (BNNTs) with various sections was studied by means of density functional theory and molecular dynamic simulations. We show that the molecular insertion in BNNT is favored depending on the tube radius. The range of the energy adsorption varied from -1 eV to -2 eV depending on BNNT dimension. We also determined the critical diameter for the possible vectorization of the anticancer molecule. Indeed, the hydrophobicity of small BNNT radius R < 5.5 Å) is so large that CBPT encapsulation is impossible to achieve. On the contrary, a larger radius could offer an ideal situation to enhance drug delivery and allow a progressive release of the therapeutic near its target. Comparison with carbon nanotubes allowed us to draw conclusions on the best adapted nanovector for CBPT.

References

Apr 15, 1996·Physical Review. B, Condensed Matter·P OrdejónJ M Soler
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Oct 2, 2003·Nature Biotechnology·David A LaVanRobert Langer
Mar 2, 2005·Nature Reviews. Cancer·Mauro Ferrari
Feb 14, 2006·The Journal of Chemical Physics·Xiaojun WuQingshi Zhu
Sep 25, 2007·Clinical Chemistry·Kewal K Jain
Jan 6, 2009·Journal of the American Chemical Society·Xing ChenCarolyn R Bertozzi
Sep 5, 2009·Chemistry, an Asian Journal·C Y ZhiD Golberg
Oct 8, 2009·Nature Nanotechnology·K KostarelosM Prato
Dec 22, 2009·ACS Nano·Silvia H De Paoli LacerdaJack F Douglas
Apr 13, 2010·Pharmacological Research : the Official Journal of the Italian Pharmacological Society·M Wang, M Thanou
Dec 21, 2010·Gynecologic Oncology·Paul S KimReema Zeineldin
Mar 16, 2011·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Ronaldo J C BatistaDaniel L Rocco
Jul 26, 2011·Journal of Nanoscience and Nanotechnology·Radoslaw A Rippel, Alexander M Seifalian
Sep 4, 2013·Journal of Computational Chemistry·Christopher G MayneJames C Gumbart
Jul 30, 2014·Physical Chemistry Chemical Physics : PCCP·Eric DuvergerFabien Picaud
Dec 17, 2014·The Journal of Physical Chemistry. B·Alia MejriFabien Picaud
Mar 25, 2015·The Journal of Physical Chemistry. B·Michael ThomasTamsyn A Hilder
Oct 27, 2015·Physical Chemistry Chemical Physics : PCCP·Mohammed El KhalifiFabien Picaud
Oct 7, 2016·Physical Chemistry Chemical Physics : PCCP·M El KhalifiF Picaud

❮ Previous
Next ❯

Citations

Nov 19, 2019·Journal of Chemical Information and Modeling·Eduardo R AlmeidaHélio F Dos Santos
Sep 2, 2021·International Journal of Nanomedicine·Ashagrachew Tewabe YayehradAbyou Seyfu Ambaye

❮ Previous
Next ❯

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.