Journal of Medicinal Chemistry,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Dec. 16, 2024
Cancer
remains
one
of
the
deadliest
diseases
worldwide,
with
some
tumors
proving
difficult
to
treat
and
increasingly
resistant
current
therapies.
Capitalizing
on
this,
there
is
a
need
for
new
therapeutic
agents
novel
mechanisms
action.
Among
promising
candidates,
Fe(III)
complexes
have
gained
significant
attention
as
potential
chemotherapeutic
agents.
However,
research
these
compounds
has
been
limited
small
number,
leading
inefficiencies
in
drug
discovery.
This
study
addresses
limitations
by
developing
combinatorial
library
495
synthesized
from
aminophenol,
hydroxybenzaldehyde,
pyridine
derivatives.
The
were
screened
cytotoxicity
against
human
breast
adenocarcinoma
noncancerous
fibroblasts,
identifying
class
modest
cancer
cell
selectivity.
lead
compound
effectively
eradicated
tumor
spheroids
at
low
micromolar
concentrations,
highlighting
this
approach
rapid
npj Antimicrobials and Resistance,
Journal Year:
2025,
Volume and Issue:
3(1)
Published: Jan. 7, 2025
Artificial
intelligence
(AI)
has
transformed
infectious
disease
control,
enhancing
rapid
diagnosis
and
antibiotic
discovery.
While
conventional
tests
delay
diagnosis,
AI-driven
methods
like
machine
learning
deep
assist
in
pathogen
detection,
resistance
prediction,
drug
These
tools
improve
stewardship
identify
effective
compounds
such
as
antimicrobial
peptides
small
molecules.
This
review
explores
AI
applications
diagnostics,
therapy,
discovery,
emphasizing
both
strengths
areas
needing
improvement.
Angewandte Chemie International Edition,
Journal Year:
2024,
Volume and Issue:
63(31)
Published: May 21, 2024
Abstract
An
optimal
cancer
chemotherapy
regimen
should
effectively
address
the
drug
resistance
of
tumors
while
eliciting
antitumor‐immune
responses.
Research
has
shown
that
non‐apoptotic
cell
death,
such
as
pyroptosis
and
ferroptosis,
can
enhance
immune
response.
Despite
this,
there
been
limited
investigation
reporting
on
mechanisms
oncosis
its
correlation
with
Herein,
we
designed
synthesized
a
Ru(II)
complex
targeted
nucleus
mitochondria
to
induce
oncosis.
Briefly,
disrupts
DNA,
which
active
polyADP‐ribose
polymerase
1,
accompanied
by
ATP
consumption
porimin
activation.
Concurrently,
mitochondrial
damage
endoplasmic
reticulum
stress
result
in
release
Ca
2+
ions
increased
expression
Calpain
1.
Subsequently,
specific
pore
proteins
1
promote
cristae
destruction
or
vacuolation,
ultimately
leading
membrane
rupture.
The
analysis
RNA
sequencing
demonstrates
initiate
oncosis‐associated
pathway
activate
both
innate
adaptive
immunity.
In
vivo
experiments
have
confirmed
promotes
dendritic
maturation
awakens
cytotoxic
T
lymphocytes
but
also
activates
inducing
polarization
macrophages
towards
an
M1
phenotype.
Journal of the American Chemical Society,
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 10, 2025
The
rapid
emergency
and
spread
of
antimicrobial-resistant
(AMR)
bacteria
the
lack
new
antibiotics
being
developed
pose
serious
threats
to
global
healthcare
system.
Therefore,
development
more
effective
therapies
overcome
AMR
is
highly
desirable.
Metal
ions
have
a
long
history
serving
as
antimicrobial
agents,
metal-based
compounds
are
now
attracting
interest
from
scientific
communities
in
fight
against
owing
their
unique
mechanism.
Moreover,
they
may
also
serve
antibiotic
adjuvants
enhance
efficacy
clinically
used
antibiotics.
In
this
perspective,
we
highlight
important
showcase
studies
last
10
years
on
strategies
crisis.
Specifically,
categorize
these
metallo-antimicrobials
into
five
classes
based
modes
action
(i.e.,
metallo-enzymes
metal-binding
enzyme
inhibitors,
membrane
perturbants,
uptake/efflux
system
inhibitors/regulators,
persisters
oxidative
stress
inducers).
significant
advantages
over
traditional
lie
multitargeted
mechanisms,
which
render
less
likelihood
generate
resistance.
However,
notice
that
such
raise
concern
potential
side
effects
low
selectivity
toward
pathogens
host,
appears
be
biggest
obstacle
for
downstream
translational
research.
We
anticipate
combination
therapy
through
repurposing
(metallo)drugs
with
optimization
absorption
route
formulation
achieve
target-oriented
delivery
will
powerful
way
combat
AMR.
Despite
challenges,
hold
great
opportunities
therapeutic
intervention
infection
by
resistant
bacteria.
Journal of Controlled Release,
Journal Year:
2024,
Volume and Issue:
376, P. 1025 - 1038
Published: Nov. 8, 2024
Drug
delivery
systems
efficiently
and
safely
administer
therapeutic
agents
to
specific
body
sites.
Liposomes,
spherical
vesicles
made
of
phospholipid
bilayers,
have
become
a
powerful
tool
in
this
field,
especially
with
the
rise
microfluidic
manufacturing
during
COVID-19
pandemic.
Despite
its
efficiency,
liposomal
production
poses
challenges,
often
requiring
laborious,
optimization
on
case-by-case
basis.
This
is
due
lack
comprehensive
understanding
robust
methodologies,
compounded
by
limited
data
varying
lipids.
Artificial
intelligence
offers
promise
predicting
lipid
behaviour
production,
still
unexploited
potential
streamlining
development.
Herein
we
employ
machine
learning
predict
critical
quality
attributes
process
parameters
for
microfluidic-based
liposome
production.
Validated
models
formation,
size,
parameters,
significantly
advancing
our
behaviour.
Extensive
model
analysis
enhanced
interpretability
investigated
underlying
mechanisms,
supporting
transition
Unlocking
drug
development
can
accelerate
pharmaceutical
innovation,
making
more
adaptable
accessible.
Scientific Data,
Journal Year:
2024,
Volume and Issue:
11(1)
Published: Aug. 10, 2024
Iridium(III)
complexes
nowadays
became
rising
stars
in
various
health-related
applications.
Thus,
there
is
a
necessity
to
assess
cytotoxicity
of
the
synthesized
molecules
against
cancer/normal
cell
lines.
In
this
report,
we
present
dataset
2694
experimental
values
803
iridium
127
different
We
specify
conditions
and
provide
representation
machine-readable
format.
The
provides
starting
point
for
exploration
new
iridium-based
cellular
probes
opens
possibilities
predictions
toxicities
data-driven
generation
organometallic
anticancer
agents.
Inorganic Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Feb. 28, 2025
Antimicrobial
resistance
is
one
of
the
biggest
global
healthcare
challenges.
Therefore,
there
an
urgent
need
to
develop
new
molecules
that
display
distinct
antibacterial
properties
overcome
resistance.
With
this
aim,
we
have
developed
a
combinatorial
and
semiautomated
platform
synthesize
screen
library
78
compounds
against
Gram-positive
Gram-negative
bacteria.
This
based
on
octahedral
iridium(III)
complexes
with
general
formula
[Ir(CN)2(NN)]Cl
(where
CN
are
cyclometallating
polyaromatic
ligands
NN
phenanthroline-imidazole
or
dipyridophenazine
derivatives)
which
known
generate
reactive
oxygen
species
(ROS)
upon
light
irradiation.
From
initial
entire
(in
dark
under
irradiation)
Escherichia
coli
Staphylococcus
aureus,
show
scaffold
highly
effective
at
inhibiting
growth
bacteria
intermediate
dose
(16
μg/mL),
displaying
hit
rate
>30%
in
rising
56%
Six
were
selected
for
further
studies
panel
five
strains,
allowing
us
identify
two
lead
MICs
as
low
2
μg/mL.
These
studied
more
detail
establish
their
mode
action
using
time-kill
study
S.
aureus
USA300
strain.
ChemPhotoChem,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 1, 2025
Chirality
plays
a
fundamental
role
in
molecular
sciences,
with
chiroptical
properties
offering
valuable
insights
into
the
interaction
between
chiral
molecules
and
polarized
light.
Designing
materials
enhanced
requires
deep
understanding
of
underlying
physical
principles,
often
revealed
only
through
large
datasets.
In
this
context,
artificial
intelligence
(AI)
emerges
as
powerful
tool
for
accelerating
discovery
optimization,
efficiently
exploring
vast
chemical
spaces.
This
work
explores
synergy
AI
properties,
highlighting
recent
advances
data‐driven
approaches
circular
dichroism
circularly
luminescence.
has
demonstrated
its
ability
to
predict
these
phenomena
accurately
while
uncovering
structure–property
relationships
that
can
remain
hidden
under
traditional
methods.
Various
strategies
are
examined
integrating
challenges
future
directions
field
discussed.
conclusion,
combining
intuition
offers
great
potential
rational
design
next‐generation
materials.
integration
not
promises
unlock
novel
compounds
but
also
provides
new
opportunities
deepen
our
phenomena.