Supramolecular Nucleoside-Based Gel: Molecular Dynamics Simulation and Characterization of Its Nanoarchitecture and Self-Assembly Mechanism

Langmuir : the ACS Journal of Surfaces and Colloids
Maria Galini Faidra AngelerouMischa Zelzer

Abstract

Among the diversity of existing supramolecular hydrogels, nucleic acid-based hydrogels are of particular interest for potential drug delivery and tissue engineering applications because of their inherent biocompatibility. Hydrogel performance is directly related to the nanostructure and the self-assembly mechanism of the material, an aspect that is not well-understood for nucleic acid-based hydrogels in general and has not yet been explored for cytosine-based hydrogels in particular. Herein, we use a broad range of experimental characterization techniques along with molecular dynamics (MD) simulation to demonstrate the complementarity and applicability of both approaches for nucleic acid-based gelators in general and propose the self-assembly mechanism for a novel supramolecular gelator, N4-octanoyl-2'-deoxycytidine. The experimental data and the MD simulation are in complete agreement with each other and demonstrate the formation of a hydrophobic core within the fibrillar structures of these mainly water-containing materials. The characterization of the distinct duality of environments in this cytidine-based gel will form the basis for further encapsulation of both small hydrophobic drugs and biopharmaceuticals (proteins and n...Continue Reading

References

Mar 1, 1985·The Journal of Cell Biology·P GreenspanS D Fowler
Feb 1, 1996·Journal of Molecular Graphics·W HumphreyK Schulten
Jun 17, 2004·Journal of the American Chemical Society·Louis MoreauMark W Grinstaff
Jan 11, 2007·The Journal of Chemical Physics·Giovanni BussiMichele Parrinello
Dec 21, 2007·Chemistry, an Asian Journal·Nampally Sreenivasachary, Jean-Marie Lehn
Nov 20, 2009·Langmuir : the ACS Journal of Surfaces and Colloids·Lin ChenDave J Adams
May 8, 2010·Chemical Communications : Chem Comm·Guilhem GodeauPhilippe Barthélémy
Feb 14, 2013·Nature Communications·Kyle L MorrisDave J Adams
Feb 19, 2013·Journal of Chemical Theory and Computation·Maria M ReifChris Oostenbrink
Jul 9, 2013·Nanoscale·Eric BusseronNicolas Giuseppone
Nov 14, 2013·Langmuir : the ACS Journal of Surfaces and Colloids·Elise LepeltierPatrick Couvreur
Dec 6, 2014·Chemical Communications : Chem Comm·Jaclyn Raeburn, Dave J Adams
Jan 30, 2015·Magnetic Resonance in Chemistry : MRC· NonappaErkki Kolehmainen
Apr 1, 2015·Soft Matter·Jaclyn RaeburnDave J Adams
Aug 21, 2015·Chemistry : a European Journal·María D Segarra-MasetJuan F Miravet
Oct 9, 2012·Journal of Chemical Theory and Computation·Maria M ReifChris Oostenbrink
Jan 1, 2008·Journal of Chemical Theory and Computation·Berk Hess
Mar 1, 2008·Journal of Chemical Theory and Computation·Berk HessErik Lindahl
Mar 11, 2016·Chemical Communications : Chem Comm·Maria Galini Faidra AngelerouMischa Zelzer
Mar 18, 2016·Chemical Communications : Chem Comm·Taylor N Plank, Jeffery T Davis
Apr 7, 2016·Chemical Communications : Chem Comm·J A KaplanM W Grinstaff
May 6, 2016·Chemical Society Reviews·Gretchen Marie Peters, Jeffery T Davis
Oct 8, 2016·Soft Matter·K J SkillingM Marlow
Feb 6, 2017·Advanced Materials·Michael A RaminPhilippe Barthélémy
Apr 13, 2017·Chemistry : a European Journal·Susana M RamalheteYaroslav Z Khimyak
May 26, 2017·Physical Chemistry Chemical Physics : PCCP·Chengqian YuanXuehai Yan
Jun 21, 2017·Biomacromolecules·Laura L E MearsDave J Adams
Aug 31, 2017·Organic & Biomolecular Chemistry·Anjela ManandharSharon M Loverde
Oct 19, 2017·Angewandte Chemie·Cécile Vigier-CarrièreLoïc Jierry
Mar 27, 2018·Journal of Colloid and Interface Science·Pavel BanerjeeNilmoni Sarkar
Dec 21, 2014·Journal of Materials Chemistry. B, Materials for Biology and Medicine·K J SkillingM Marlow

❮ Previous
Next ❯

Citations

Mar 5, 2020·Biomaterials Science·Sandeep Kumar, Avinash Bajaj
Apr 8, 2020·Journal of Materials Chemistry. B, Materials for Biology and Medicine·Juan V Alegre-RequenaDavid Díaz Díaz
Nov 28, 2018·Journal of Colloid and Interface Science·Pablo G ArgudoLuis Camacho
Nov 5, 2019·Journal of Controlled Release : Official Journal of the Controlled Release Society·Maria Galini Faidra AngelerouMaria Marlow
Mar 7, 2021·Journal of Controlled Release : Official Journal of the Controlled Release Society·Tommaso Casalini
Feb 28, 2019·Langmuir : the ACS Journal of Surfaces and Colloids·Hamid Reza Khavasi, Maryam Esmaeili
Nov 30, 2018·Molecular Pharmaceutics·Litty JohnsonMaria Marlow
Dec 10, 2019·Langmuir : the ACS Journal of Surfaces and Colloids·Chengjuan YangXianping Liu
Jan 28, 2020·Langmuir : the ACS Journal of Surfaces and Colloids·Tapas GhoshApurba K Das

❮ Previous
Next ❯

Methods Mentioned

BETA
X-ray
transmission electron microscopy
circular dichroism
light scattering
rheology
fluorescence spectroscopy
linear dichroism
fluorescence microscopy
Fluorescence
NMR

Software Mentioned

GROMACS
VMD

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.