The
emergence
of
Artificial
Intelligence
(AI)
in
drug
discovery
marks
a
pivotal
shift
pharmaceutical
research,
blending
sophisticated
computational
techniques
with
conventional
scientific
exploration
to
break
through
enduring
obstacles.
This
review
paper
elucidates
the
multifaceted
applications
AI
across
various
stages
development,
highlighting
significant
advancements
and
methodologies.
It
delves
into
AI's
instrumental
role
design,
polypharmacology,
chemical
synthesis,
repurposing,
prediction
properties
such
as
toxicity,
bioactivity,
physicochemical
characteristics.
Despite
promising
advancements,
also
addresses
challenges
limitations
encountered
field,
including
data
quality,
generalizability,
demands,
ethical
considerations.
By
offering
comprehensive
overview
discovery,
this
underscores
technology's
potential
significantly
enhance
while
acknowledging
hurdles
that
must
be
overcome
fully
realize
its
benefits.
Neuroscience & Biobehavioral Reviews,
Год журнала:
2025,
Номер
169, С. 106030 - 106030
Опубликована: Фев. 1, 2025
Bipolar
disorder
(BD)
is
characterized
by
a
complex
constellation
of
emotional,
cognitive,
and
psychomotor
disturbances,
each
deeply
intertwined
with
underlying
dysfunctions
in
large-scale
brain
networks
neurotransmitter
systems.
This
manuscript
integrates
recent
advances
neuroimaging,
neuromodulation,
pharmacological
research
to
provide
comprehensive
view
BD's
pathophysiology,
emphasizing
the
role
network-specific
their
clinical
manifestations.
We
explore
how
dysregulation
within
fronto-limbic
network,
particularly
involving
prefrontal
cortex
(PFC)
amygdala,
underpins
emotional
instability
that
defines
both
manic
depressive
episodes.
Additionally,
impairments
central
executive
network
(CEN)
default
mode
(DMN)
are
linked
cognitive
deficits,
hyperactivity
DMN
driving
rumination
inflexibility,
while
CEN
underactivity
contributes
attentional
lapses
impaired
function.
Psychomotor
symptoms,
which
oscillate
between
mania
retardation
depression,
closely
associated
imbalances
systems,
dopamine
serotonin,
basal
ganglia-thalamo-cortical
motor
pathway.
Recent
studies
indicate
these
disturbances
further
exacerbated
disruptions
connectivity,
leading
control
regulation.
Emerging
therapeutic
strategies
discussed,
focus
on
neuromodulation
techniques
such
as
transcranial
magnetic
stimulation
(TMS)
deep
(DBS),
show
promise
restoring
balance
critical
networks.
Furthermore,
interventions
modulate
synaptic
functioning
neuronal
plasticity
offer
potential
for
addressing
symptoms
BD.
underscores
need
an
integrative
treatment
approach
simultaneously
targets
neural
circuits
systems
address
full
spectrum
Drawing
advancements
neurobiological
models
frameworks,
this
proposal
outlines
pathway
development
precision-tailored
interventions.
These
approaches
designed
optimize
outcomes,
ultimately
striving
elevate
quality
life
individuals
living
bipolar
(BD),
remaining
firmly
grounded
latest
empirical
evidence
theoretical
insights.
Nano TransMed,
Год журнала:
2024,
Номер
3, С. 100041 - 100041
Опубликована: Июль 9, 2024
Artificial
Intelligence
(AI)
and
Nanotechnology
are
two
cutting-edge
fields
that
hold
immense
promise
for
revolutionizing
various
aspects
of
science,
technology,
everyday
life.
This
review
delves
into
the
intersection
these
disciplines,
highlighting
synergistic
relationship
between
AI
Nanotechnology.
It
explores
how
techniques
such
as
machine
learning,
deep
neural
networks
being
employed
to
enhance
efficiency,
precision,
scalability
nanotechnology
applications.
Furthermore,
it
discusses
challenges,
opportunities,
future
prospects
integrating
with
nanotechnology,
paving
way
transformative
advancements
in
diverse
domains
ranging
from
healthcare
materials
science
environmental
sustainability
beyond.
Quarterly Reviews of Biophysics,
Год журнала:
2025,
Номер
58
Опубликована: Янв. 1, 2025
Abstract
Allostery
describes
the
ability
of
biological
macromolecules
to
transmit
signals
spatially
through
molecule
from
an
allosteric
site
–
a
that
is
distinct
orthosteric
binding
sites
primary,
endogenous
ligands
functional
or
active
site.
This
review
starts
with
historical
overview
and
description
classical
example
allostery
hemoglobin
other
well-known
examples
(aspartate
transcarbamoylase,
Lac
repressor,
kinases,
G-protein-coupled
receptors,
adenosine
triphosphate
synthase,
chaperonin).
We
then
discuss
fringe
allostery,
including
intrinsically
disordered
proteins
inter-enzyme
influence
dynamics,
entropy,
conformational
ensembles
landscapes
on
mechanisms,
capture
essence
field.
Thereafter,
we
give
over
central
methods
for
investigating
molecular
covering
experimental
techniques
as
well
simulations
artificial
intelligence
(AI)-based
methods.
conclude
allostery-based
drug
discovery,
its
challenges
opportunities:
recent
advent
AI-based
methods,
compounds
are
set
revolutionize
discovery
medical
treatments.
Advances in medical technologies and clinical practice book series,
Год журнала:
2024,
Номер
unknown, С. 42 - 86
Опубликована: Апрель 26, 2024
Addressing
the
critical
challenge
of
lengthy
and
costly
drug
development,
this
chapter
illuminates
transformative
role
advanced
artificial
intelligence
(AI)
in
discovery.
It
aims
to
dissect
impact
AI
methodologies
streamlining
these
traditionally
complex
processes.
This
begins
by
highlighting
inefficiencies
conventional
discovery
methods,
emphasizing
their
resource-intensive
nature.
An
in-depth
discussion
how
technologies
are
revolutionizing
identification
novel
targets,
optimizing
molecular
structures
candidates,
accurately
predicting
efficacy
toxicity
is
needed.
exploration
underscores
AI's
dual
advantages:
significantly
reducing
development
timelines
expenses
while
simultaneously
enhancing
precision
predictions,
leading
safer
more
effective
drugs.
concludes
with
a
vision
future
where
AI-driven
methods
fully
integrated
personalized
medicine
genomics,
signaling
onset
new
era
healthcare
therapeutic
innovation.
Journal of Medicinal Chemistry,
Год журнала:
2024,
Номер
67(18), С. 15947 - 15967
Опубликована: Сен. 9, 2024
Pyridine
nucleotide-disulfide
oxidoreductases
are
underexplored
as
drug
targets,
and
thioredoxin
reductases
(TrxRs)
stand
out
compelling
pharmacological
targets.
Selective
TrxR
inhibition
is
challenging
primarily
due
to
the
reliance
on
covalent
strategies.
Recent
studies
identified
a
regulatory
druggable
pocket
in
Frontiers in Cellular Neuroscience,
Год журнала:
2025,
Номер
18
Опубликована: Янв. 6, 2025
Precision,
or
personalized,
medicine
aims
to
stratify
patients
based
on
variable
pathogenic
signatures
optimize
the
effectiveness
of
disease
prevention
and
treatment.
This
approach
is
favorable
in
context
brain
disorders,
which
are
often
heterogeneous
their
pathophysiological
features,
patterns
progression
treatment
response,
resulting
limited
therapeutic
standard-of-care.
Here
we
highlight
transformative
role
that
human
induced
pluripotent
stem
cell
(hiPSC)-derived
neural
models
poised
play
advancing
precision
for
particularly
emerging
innovations
improve
relevance
hiPSC
physiology.
hiPSCs
derived
from
accessible
patient
somatic
cells
can
produce
various
types
tissues;
current
efforts
increase
complexity
these
models,
incorporating
region-specific
tissues
non-neural
microenvironment,
providing
increasingly
relevant
insights
into
human-specific
neurobiology.
Continued
advances
tissue
engineering
combined
with
genomics,
high-throughput
screening
imaging
strengthen
physiological
thus
ability
uncover
mechanisms,
vulnerabilities,
fluid-based
biomarkers
will
have
real
impact
neurological
True
understanding,
however,
necessitates
integration
hiPSC-neural
biophysical
data,
including
quantitative
neuroimaging
representations.
We
discuss
recent
cellular
neuroscience
provide
direct
connections
through
generative
AI
modeling.
Our
focus
great
potential
synergy
between
pave
way
personalized
becoming
a
viable
option
suffering
neuropathologies,
rare
epileptic
neurodegenerative
disorders.
