Malic acid-based deep eutectic solvent and its application in Insulin's structural stability
Results in Engineering,
Journal Year:
2023,
Volume and Issue:
20, P. 101529 - 101529
Published: Oct. 20, 2023
Deep
eutectic
solvents
(DESs)
and
Ionic
Liquids
(ILs)
have
been
recently
used
as
a
solvent
for
insulin
delivery
via
subcutaneous,
transdermal,
oral,
nasal
ways.
However,
due
to
their
high
viscosity,
DESs
are
usually
impractical
applications
in
pure
solution.
The
addition
of
water
decreases
the
viscosity
DESs,
but
it
can
also
influence
structural
stability
proteins.
Hence,
DES-water
solutions
effect
on
insulin's
need
be
investigated.
In
this
study,
molecular
dynamics
simulations
dimer
DES
consisting
malic
acid
choline
chloride
(MA-ChCl)
with
varying
amounts
were
performed.
Insulin
is
strongly
stabilized
its
aqueous
compared
water.
50
%
75
content,
was
observed
interact
readily
binding
site,
causing
separation
two
monomers.
Therefore,
while
stable
low
presence
higher
destabilized
monomers
separated.
Considering
that
active
form
monomeric,
decomposition
into
before
reaching
bloodstream
increase
pharmacokinetics
delivery,
use
rapid
highly
relevant.
Language: Английский
Simple strategy of the use of pharmaceutically functionalized ionic liquids in a new generation of polymer nanocarriers for combined delivery of ionic p-Aminosalicylate and ampicillin
International Journal of Pharmaceutics,
Journal Year:
2024,
Volume and Issue:
662, P. 124483 - 124483
Published: July 18, 2024
Language: Английский
Hydration Pattern of Ionic Liquids in the Stabilization of Insulin Dimer: A Computational Perspective
Advanced Theory and Simulations,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Dec. 18, 2024
Abstract
Choline
[Cho]‐based
ionic
liquids
(ILs)
are
biodegradable
and
soluble
have
shown
strong
application
in
the
protein
stabilization
drug
delivery.
In
this
work,
stability
of
insulin
dimer
is
investigated
presence
ILs
containing
three
distinct
anions
(i.e.,
acetate
[OAc],
taurate
[Tau],
geranate
[Ger]).
Molecular
dynamics
(MD)
simulations
density
functional
theory
(DFT)
calculations
explore
insulin's
structure
ILs.
MD
analyses
reveal
that
stabilized
by
non‐covalent
interactions,
with
hydrogen
bonds
playing
key
roles.
Among
them,
[Cho][OAc]
show
significantly
better
than
other
anions.This
due
to
hydration
patterns
anion,
which
can
be
compared
Hofmeister
series
chemical
agent
effects
kosmotrope
chaotrope).
Further,
interactions
index
electron
from
atoms‐in‐molecules
approach
carried
out
quantify
strength
interaction
water
clusters
(Wn,
n
=
0–6).
Analyses
significance
molecules
The
study
elucidates
role
formulation
concerning
dimers
improve
transdermal
oral
delivery
systems.
Language: Английский