American Journal of Biomedical and Life Sciences,
Journal Year:
2024,
Volume and Issue:
12(5), P. 83 - 92
Published: Nov. 28, 2024
The
ion
channels
are
distributed
in
all
cells
and
promote
the
rapid
influx
of
ions
that
underlie
formation
cellular
bioelectrical
signals.
Bioelectrical
signals
coupled
with
other
regulator
mechanisms
provide
fundamental
physiological
processes,
such
as
differentiation,
proliferation,
apoptosis,
which
strongly
associated
manifestation
cancer
hallmarks.
Alterations
signaling
mechanism
unusual
features
cells.
Investigating
role
tumor
growth
provides
insights
into
diagnosis
tumor-targeted
treatment.
Hence,
this
field
research
is
becoming
one
frontrunners
medicine,
advances
biophysical
tools
enabling
progress
understanding
biological
phenomenon.
Recent
studies
have
revealed
represent
a
promising
target
therapy.
It
increasingly
convincing
conditions
can
be
reversed
to
normal
by
regulating
Herein,
we
brief
review
pathophysiology
data
on
manipulation
novel
approach
preventing
malignant
growth.
Frontiers in Molecular Neuroscience,
Journal Year:
2024,
Volume and Issue:
16
Published: Jan. 5, 2024
Ion
channels
play
a
crucial
role
in
variety
of
physiological
and
pathological
processes,
making
them
attractive
targets
for
drug
development
diseases
such
as
diabetes,
epilepsy,
hypertension,
cancer,
chronic
pain.
Despite
the
importance
ion
discovery,
vastness
chemical
space
complexity
pose
significant
challenges
identifying
candidates.
The
use
silico
methods
discovery
has
dramatically
reduced
time
cost
potential
to
revolutionize
field
medicine.
Recent
advances
computer
hardware
software
have
enabled
screening
ultra-large
compound
libraries.
Integration
different
at
various
scales
dimensions
is
becoming
an
inevitable
trend
development.
In
this
review,
we
provide
overview
current
state-of-the-art
computational
chemistry
methodologies
library
their
application
channel
research.
We
discuss
advantages
limitations
techniques,
including
virtual
screening,
molecular
mechanics/dynamics
simulations,
machine
learning-based
approaches.
also
highlight
several
successful
applications
insights
into
future
directions
field.
Brain Research Bulletin,
Journal Year:
2025,
Volume and Issue:
unknown, P. 111325 - 111325
Published: March 1, 2025
Caffeic
acid
(CA)
is
a
prevalent
polyphenolic
compound
commonly
found
in
various
plant-derived
foods.
Due
to
its
diverse
pharmacological
properties,
including
antioxidant
activity,
cardiovascular
protection,
and
immune
regulation,
CA
has
garnered
significant
attention.
Ionizing
radiation
(IR)
extensively
utilized
across
industrial
sectors,
agriculture,
defense
applications,
scientific
research,
clinical
medicine;
however,
the
detrimental
effects
of
on
human
health
cannot
be
ignored.
IR
can
directly
damage
DNA,
proteins,
lipids
within
macromolecules
or
ionize
water
molecules
generate
substantial
quantities
free
radicals
that
indirectly
harm
cells,
especially
those
brain
which
are
highly
susceptible
exposure.
Consequently,
effective
strategies
for
preventing
treating
IR-induced
neurological
represent
an
urgent
medical
challenge
necessitates
resolution.
Our
study
aims
investigate
protective
against
neuronal
cell
along
with
elucidating
potential
mechanisms
action.
The
results
indicate
covalently
modify
active
cysteine
residues
Keap1
protein
altering
conformation;
this
modification
disrupts
interaction
between
Nrf2
while
facilitating
Nrf2's
translocation
into
nucleus
where
it
activates
downstream
expression
cellular
factors
such
as
heme
oxygenase-1
(HO-1),
NAD(P)H:
quinone
oxidoreductase
1
(NQO1),
Thioredoxin
Reductase-1
(TrxR1)
other
play
role
countering
radiation-induced
damage.
In
conclusion,
emerges
radioprotective
agent
capable
exerting
antiradiation
effects.
findings
provide
valuable
insights
developing
novel
therapeutic
agents
aimed
at
impairment.
International Journal of Molecular Sciences,
Journal Year:
2024,
Volume and Issue:
25(12), P. 6467 - 6467
Published: June 12, 2024
In
different
areas
of
the
heart,
action
potential
waveforms
differ
due
to
differences
in
expressions
sodium,
calcium,
and
potassium
channels.
One
characteristics
myocardial
infarction
(MI)
is
an
imbalance
oxygen
supply
demand,
leading
ion
imbalance.
After
MI,
regulation
expression
levels
K
International Journal of Molecular Sciences,
Journal Year:
2024,
Volume and Issue:
25(6), P. 3512 - 3512
Published: March 20, 2024
Soybean
phytophthora
blight
is
a
severe
menace
to
global
agriculture,
causing
annual
losses
surpassing
USD
1
billion.
Present
crop
loss
mitigation
strategies
primarily
rely
on
chemical
pesticides
and
disease-resistant
breeding,
frequently
surpassed
by
the
pathogens'
quick
adaptive
evolution.
In
this
urgent
scenario,
our
research
delves
into
innovative
antimicrobial
peptides
characterized
low
drug
resistance
environmental
friendliness.
Inhibiting
chitin
synthase
gene
activity
in
Phytophthora
sojae
impairs
vital
functions
such
as
growth
sporulation,
presenting
an
effective
method
reduce
its
pathogenic
impact.
study,
we
screened
16
previously
tested
evaluate
their
effects
against
using
structure-guided
design,
which
involves
molecular
docking,
saturation
mutagenesis,
dynamics,
toxicity
prediction.
The
silico
analysis
identified
AMP_04
with
potential
inhibitory
sojae's
synthase.
Through
three
rounds
of
pin-pointed
most
triple
mutant,
TP
(D10K,
G11I,
S14L).
Molecular
dynamic
simulations
revealed
TP's
stability
synthase-TP
complex
transmembrane
mechanism,
employing
all-atom
force
field.
Our
findings
demonstrate
efficacy
occupying
substrate-binding
pocket
translocation
catalytic
channel.
Effective
inhibition
enzyme
can
be
achieved.
Specifically,
mutant
demonstrates
enhanced
potency
decreased
relative
wild-type
AMP_04,
utilizing
mechanism
akin
barrel-stave
model
during
membrane
translocation.
Collectively,
study
provides
new
strategy
that
could
used
potent
agent
combatting
soybean
blight,
contributing
sustainable
agricultural
practices.
Jurnal Perikanan Unram,
Journal Year:
2024,
Volume and Issue:
14(2), P. 611 - 619
Published: June 18, 2024
Morganella
morganii
is
one
of
bacteria
that
capable
converting
histidine
to
histamine
in
fishery
products,
particularly
the
histidine-rich
species
Scobridae
family.The
enzyme
responsible
for
conversion
decarboxylase
(HDC),
however
crystal
structure
HDC
has
not
been
reported.The
aim
this
study
was
compare
models
constructed
de
novo
with
AlphaFold2
and
by
homologous
modeling
SwissModel.The
overall
both
showed
a
high
similarity
superposition
α-backbone
(R.M.S.D.)
being
0.522
Å.The
active
site
analysis
shows
position
Lys233,
which
can
form
an
internal
aldimine
(Lys-pyridoxal-5'-phosphate)
conservation
Lys233
from
Photobacterium
phosphoreum
(PDB
7ERV).The
main
difference
between
two
lies
Asp252-Val256
residues,
α-helix
model,
while
these
residues
loop
SwissModel
model
P.
structure.Nevertheless,
putative
Tetragenococcus
halophilus
low
level
amino
acid
sequence
homology
different
R.M.S.D
reaching
1.103
Å.This
research
proteins
be
performed
using
methods.