Toward the Integration of Machine Learning and Molecular Modeling for Designing Drug Delivery Nanocarriers
Xuejiao J. Gao,
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Krzesimir Ciura,
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Yuanjie Ma
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et al.
Advanced Materials,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Sept. 10, 2024
Abstract
The
pioneering
work
on
liposomes
in
the
1960s
and
subsequent
research
controlled
drug
release
systems
significantly
advances
development
of
nanocarriers
(NCs)
for
delivery.
This
field
is
evolved
to
include
a
diverse
array
such
as
liposomes,
polymeric
nanoparticles,
dendrimers,
more,
each
tailored
specific
therapeutic
applications.
Despite
significant
achievements,
clinical
translation
limited,
primarily
due
low
efficiency
delivery
an
incomplete
understanding
nanocarrier
interactions
with
biological
systems.
Addressing
these
challenges
requires
interdisciplinary
collaboration
deep
nano‐bio
interface.
To
enhance
design,
scientists
employ
both
physics‐based
data‐driven
models.
Physics‐based
models
provide
detailed
insights
into
chemical
reactions
at
atomic
molecular
scales,
while
leverage
machine
learning
analyze
large
datasets
uncover
hidden
mechanisms.
integration
presents
harmonizing
different
modeling
approaches
ensuring
model
validation
generalization
across
However,
this
crucial
developing
effective
targeted
By
integrating
enhanced
data
infrastructure,
explainable
AI,
computational
advances,
potentials,
researchers
can
develop
innovative
nanomedicine
solutions,
ultimately
improving
outcomes.
Language: Английский
Procyanidins for the treatment of Parkinson's disease and ischemic stroke
Journal of Functional Foods,
Journal Year:
2025,
Volume and Issue:
127, P. 106717 - 106717
Published: March 12, 2025
Language: Английский
Ferulic Acid: A Comprehensive Review
J. Purushothaman,
No information about this author
Md. Rizwanullah
No information about this author
Cureus,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Aug. 28, 2024
Ferulic
acid
(FA),
a
phenolic
compound
abundant
in
the
cell
walls
of
seeds,
leaves,
and
roots
various
fruits,
vegetables,
cereals,
grains,
is
renowned
for
its
wide
range
biological
activities,
including
antioxidant,
anti-inflammatory,
antimicrobial,
anticancer
properties.
Despite
therapeutic
potential,
clinical
application
FA
hindered
by
challenges
such
as
poor
water
solubility,
limited
bioavailability,
rapid
metabolism,
instability
under
physiological
conditions.
To
address
these
issues,
nanotechnology
has
emerged
transformative
approach,
enhancing
FA's
pharmacokinetic
profile.
Various
nanoparticle-based
systems,
polymer-based
lipid-based
nanoparticles,
have
been
developed
to
encapsulate
FA.
These
systems
demonstrated
significant
improvements
stability,
with
studies
showing
enhanced
antioxidant
activity
controlled
release
profiles.
Further,
surface
engineering
nanoparticles
provides
targeted
drug/phytochemical
delivery
potential.
The
drugs/phytochemicals
significantly
enhances
efficacy
minimizes
systemic
side
effects.
This
review
explores
potential
FA,
limitations
application,
advancements
that
are
paving
way
effective
use.
Language: Английский
Current multi-scale biomaterials for tissue regeneration following spinal cord injury
Y Zhang,
No information about this author
Zhonghuan Wu,
No information about this author
Junfeng Wu
No information about this author
et al.
Neurochemistry International,
Journal Year:
2024,
Volume and Issue:
178, P. 105801 - 105801
Published: July 5, 2024
Language: Английский
Brain single-cell transcriptomics highlights comorbidity-related cell type-specific changes of Parkinson’s disease with major depressive disorder after paraquat exposure
Yu Zhang,
No information about this author
Yihua Jiang,
No information about this author
Yinhan Li
No information about this author
et al.
Ecotoxicology and Environmental Safety,
Journal Year:
2024,
Volume and Issue:
286, P. 117193 - 117193
Published: Oct. 16, 2024
Language: Английский