Bioengineering,
Год журнала:
2023,
Номер
10(8), С. 890 - 890
Опубликована: Июль 27, 2023
Dermatomyositis
(DM)
is
an
autoimmune
disease
that
classified
as
a
type
of
idiopathic
inflammatory
myopathy,
which
affects
human
skin
and
muscles.
The
most
common
clinical
symptoms
DM
are
muscle
weakness,
rash,
scaly
skin.
There
currently
no
cure
for
DM.
Genetic
factors
known
to
play
pivotal
role
in
progression,
but
few
have
utilized
this
information
geared
toward
drug
discovery
the
disease.
Here,
we
exploited
genomic
variation
associated
with
integrated
bioinformatic
analyses
discover
new
candidates.
We
first
genome-wide
association
study
(GWAS)
phenome-wide
(PheWAS)
catalogs
identify
disease-associated
variants.
Biological
risk
genes
were
prioritized
using
strict
functional
annotations,
further
identifying
candidate
targets
based
on
druggable
from
databases.
Overall,
analyzed
1239
variants
obtained
43
drugs
overlapped
13
target
(JAK2,
FCGR3B,
CD4,
CD3D,
LCK,
CD2,
CD3E,
FCGR3A,
CD3G,
IFNAR1,
CD247,
JAK1,
IFNAR2).
Six
clinically
investigated
DM,
well
eight
under
pre-clinical
investigation,
could
be
repositioned
Further
studies
necessary
validate
potential
biomarkers
novel
therapeutics
our
findings.
The
explosive
growth
of
biomedical
Big
Data
presents
both
significant
opportunities
and
challenges
in
the
realm
knowledge
discovery
translational
applications
within
precision
medicine.
Efficient
management,
analysis,
interpretation
big
data
can
pave
way
for
groundbreaking
advancements
However,
unprecedented
strides
automated
collection
large-scale
molecular
clinical
have
also
introduced
formidable
terms
analysis
interpretation,
necessitating
development
novel
computational
approaches.
Some
potential
include
curse
dimensionality,
heterogeneity,
missing
data,
class
imbalance,
scalability
issues.
This
overview
article
focuses
on
recent
progress
breakthroughs
application
Key
aspects
are
summarized,
including
content,
sources,
technologies,
tools,
challenges,
existing
gaps.
Nine
fields-Datawarehouse
electronic
medical
record,
imaging
informatics,
Artificial
intelligence-aided
surgical
design
surgery
optimization,
omics
health
monitoring
graph,
public
security
privacy-are
discussed.
Frontiers in Molecular Biosciences,
Год журнала:
2023,
Номер
10
Опубликована: Июнь 27, 2023
Alzheimer’s
disease
(AD)
is
a
neurodegenerative
that
primarily
affects
elderly
individuals.
Recent
studies
have
found
sigma-1
receptor
(S1R)
agonists
can
maintain
endoplasmic
reticulum
stress
homeostasis,
reduce
neuronal
apoptosis,
and
enhance
mitochondrial
function
autophagy,
making
S1R
target
for
AD
therapy.
Traditional
experimental
methods
are
costly
inefficient,
rapid
accurate
prediction
need
to
be
developed,
while
drug
repurposing
provides
new
ways
options
treatment.
In
this
paper,
we
propose
HNNDTA,
hybrid
neural
network
drug–target
affinity
(DTA)
prediction,
facilitate
The
study
combines
protein–protein
interaction
(PPI)
analysis,
the
HNNDTA
model,
molecular
docking
identify
potential
leads
AD.
model
was
constructed
using
13
encoding
networks
9
with
2506
FDA-approved
drugs
as
candidate
library
related
proteins.
Seven
were
identified
pharmacology
DTA
results
of
model.
Molecular
simulations
further
performed
AutoDock
Vina
tool
screen
haloperidol
bromperidol
lead
compounds
Absorption,
distribution,
metabolism,
excretion,
toxicity
(ADMET)
evaluation
indicated
both
had
good
pharmacokinetic
properties
virtually
non-toxic.
proposes
approach
computer-aided
design
faster
more
economical,
improve
hit
rates
compounds.
provide
treatment,
which
may
effective
due
their
multi-target
action.
freely
available
at
https://github.com/lizhj39/HNNDTA
.
Molecules,
Год журнала:
2024,
Номер
29(12), С. 2716 - 2716
Опубликована: Июнь 7, 2024
The
journey
of
drug
discovery
(DD)
has
evolved
from
ancient
practices
to
modern
technology-driven
approaches,
with
Artificial
Intelligence
(AI)
emerging
as
a
pivotal
force
in
streamlining
and
accelerating
the
process.
Despite
vital
importance
DD,
it
faces
challenges
such
high
costs
lengthy
timelines.
This
review
examines
historical
progression
current
market
DD
alongside
development
integration
AI
technologies.
We
analyse
encountered
applying
focusing
on
design
protein–protein
interactions.
discussion
is
enriched
by
presenting
models
that
put
forward
application
DD.
Three
case
studies
are
highlighted
demonstrate
successful
including
novel
class
antibiotics
small-molecule
inhibitor
progressed
phase
II
clinical
trials.
These
cases
underscore
potential
identify
new
candidates
optimise
convergence
embodies
transformative
shift
field,
offering
path
overcome
traditional
obstacles.
By
leveraging
AI,
future
promises
enhanced
efficiency
breakthroughs,
heralding
era
medical
innovation
even
though
there
still
long
way
go.
Frontiers in Neuroscience,
Год журнала:
2022,
Номер
16
Опубликована: Ноя. 10, 2022
Alzheimer's
disease
and
other
forms
of
dementia
are
that
bring
an
increased
global
burden.
However,
the
medicine
developed
to
date
remains
limited.
The
purpose
this
study
is
predict
drug
repositioning
candidates
using
a
computational
method
integrates
gene
expression
profiles
on
compound-induced
changes
in
levels.Gene
data
were
obtained
from
Gene
Expression
Omnibus
(GEO)
we
conducted
meta-analysis
their
levels.
reverse
scores
expressions
computed
based
reversal
relationship
between
profiles.Reversal
genes
candidate
compounds
identified
by
leave-one-out
cross-validation
procedure.
Additionally,
half-maximal
inhibitory
concentration
(IC50)
values
blood-brain
barrier
(BBB)
permeability
ChEMBL
PubChem,
respectively.New
therapeutic
target
against
means
repositioning.
Computational and Mathematical Methods in Medicine,
Год журнала:
2022,
Номер
2022, С. 1 - 12
Опубликована: Авг. 11, 2022
Objective.
To
systematically
assess
the
safety
and
efficacy
of
olanzapine
versus
clozapine
when
treating
senile
dementia
to
provide
evidence-based
medicine
basis
for
its
promotion
use.
Methods.
PubMed,
Embase,
ScienceDirect,
Cochrane
Library,
China
Knowledge
Network
Database
(CNKI),
VIP
Database,
Wanfang
Biomedical
Literature
(CBM)
online
database
were
searched
randomized
controlled
trials
(RCT)
dementia.
The
retrieval
time
limit
is
from
establishment
present.
data
extracted
independently
by
two
researchers,
bias
risk
each
contained
literature
was
analyzed
in
accordance
with
standard
Handbook
5.3.
RevMan
5.4
statistical
software
used
analyze
collected
meta-analysis.
Results.
Finally,
6
trial
articles
included,
a
total
490
samples.
Meta-analysis
clinical
showed
that
similar
there
no
significant
difference
(
).
Two
Alzheimer’s
disease
pathological
behavior
rating
scale
(BEHAVE-AD)
compare
different
stages
after
treatment.
Statistical
analysis
between
score
BEHAVE-AD
scores
factor
week
non-treatment
adverse
reaction
(TESS)
study
group
control
TESS
treatment
significantly
lower
than
group.
BPRS
meta-analysis,
reported
incidence
neurological
symptoms
Olanzapine
can
effectively
reduce
aging.
There
patients
id="M2">
According
meat
products,
reactions
id="M3">
<
Conclusion.
have
mental
behavioral
disorders
dementia,
which
more
effective
improving
(AD),
less
high
safety,
worth
popularizing
practice.
However,
studies
follow-up
higher
methodological
quality
longer
intervention
are
needed
further
verify.
Biomolecules,
Год журнала:
2022,
Номер
12(12), С. 1846 - 1846
Опубликована: Дек. 10, 2022
Artificial
intelligence
(AI)
has
emerged
as
a
key
player
in
modern
healthcare,
especially
the
pharmaceutical
industry
for
development
of
new
drugs
and
vaccine
candidates
[...]
International Journal of Physiology Pathophysiology and Pharmacology,
Год журнала:
2024,
Номер
16(5), С. 96 - 110
Опубликована: Янв. 1, 2024
Alzheimer's
disease
is
the
most
general
type
of
cognitive
impairments.
Until
recently,
strategies
that
prevent
its
clinical
progression
have
remained
more
elusive.
Consequently,
research
direction
should
be
for
finding
effective
neuroprotective
agents.
It
has
been
suggested
oxidative
stress,
mitochondrial
injury,
and
inflammation
level
might
lead
to
brain
cell
death
in
many
neurological
disorders.
Therefore,
several
autophagy-targeted
bioactive
compounds
may
promising
candidate
therapeutics
prevention
damage.
Interestingly,
some
risk
genes
are
expressed
within
cells,
which
linked
cholesterol
metabolism,
lipid
transport,
endocytosis,
exocytosis
and/or
caveolae
formation,
suggesting
a
fruitful
therapeutic
target
improve
This
review
would
highlight
latest
advances
technologies
treatment
disease.
In
particular,
paradigm
serotonin
N-methyl-d-aspartate
(NMDA)
receptors
agonist/antagonist
structure
possibly
impairment.
cellular
membrane
biophysics
our
understanding
pathology
dysfunction
associated
with
Here,
this
purpose
therapy
open
potential
move
care
toward
disease-modifying
certain
benefits
patients.
PeerJ,
Год журнала:
2023,
Номер
11, С. e15624 - e15624
Опубликована: Июль 10, 2023
Computational
drug
repositioning
approaches
are
important,
as
they
cost
less
compared
to
the
traditional
development
processes.
This
study
proposes
a
novel
network-based
approach,
which
computes
similarities
between
disease-causing
genes
and
drug-affected
in
network
topology
suggest
candidate
drugs
with
highest
similarity
scores.
new
method
aims
identify
better
treatment
options
by
integrating
systems
biology
approaches.
It
uses
protein-protein
interaction
that
is
main
compute
score
genes.
The
were
mapped
on
this
structure.
Transcriptome
profiles
of
candidates
taken
from
LINCS
project
individually
these
two
networks
was
calculated
different
neighborhood
metrics,
including
Adamic-Adar,
PageRank
scoring.
proposed
approach
identifies
best
choosing
significant
experimented
melanoma,
colorectal,
prostate
cancers.
Several
predicted
applying
AUC
values
0.6
or
higher.
Some
predictions
approved
clinical
phase
trials
other
in-vivo
studies
found
literature.
would
integration
functional
information
transcriptome
level
effects
perturbations
diseases.