Journal of Medicinal Chemistry,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 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
European Journal of Medicinal Chemistry,
Год журнала:
2024,
Номер
276, С. 116648 - 116648
Опубликована: Июль 3, 2024
Medical
applications
of
iridium
(III)
complexes
include
their
use
as
state-of-the-art
theranostic
agents
-
molecules
that
combine
therapeutic
and
diagnostic
functions
into
a
single
entity.
These
offer
promising
avenue
in
medical
diagnostics,
precision
imaging
at
single-cell
resolution
targeted
anticancer
therapy
due
to
unique
properties.
In
this
review
we
report
short
summary
application
level
therapy.
The
exceptional
photophysical
properties
Iridium
complexes,
including
brightness
photostability,
make
them
excellent
candidates
for
bioimaging.
They
can
be
used
image
cellular
processes
the
microenvironment
within
cells
with
unprecedented
clarity,
aiding
understanding
disease
mechanisms
molecular
level.
Moreover
designed
selectively
target
cancer
cells,.
Upon
targeting,
these
act
photosensitizers
photodynamic
(PDT),
generating
reactive
oxygen
species
(ROS)
upon
light
activation
induce
cell
death.
integration
capabilities
offers
potential
holistic
approach
treatment,
enabling
not
only
precise
eradication
but
also
real-time
monitoring
treatment
efficacy
progression.
This
aligns
goals
personalized
medicine,
offering
hope
more
effective
less
invasive
strategies.
Abstract
Despite
the
advent
of
various
medical
interventions
for
cancer
treatment,
disease
continues
to
pose
a
formidable
global
health
challenge,
necessitating
development
new
therapeutic
approaches
more
effective
treatment
outcomes.
Photodynamic
therapy
(PDT),
which
utilizes
light
activate
photosensitizer
produce
cytotoxic
reactive
oxygen
species
(ROS)
eradicating
cells,
has
emerged
as
promising
approach
due
its
high
spatiotemporal
precision
and
minimal
invasiveness.
However,
widespread
clinical
use
PDT
faces
several
challenges,
including
inefficient
production
ROS
in
hypoxic
tumor
microenvironment,
limited
penetration
depth
biological
tissues,
inadequate
accumulation
photosensitizers
at
site.
Over
past
decade,
there
been
increasing
interest
utilization
photofunctional
transition
metal
complexes
applications
their
intriguing
photophysical
photochemical
properties.
This
review
provides
an
overview
current
design
strategies
used
innovative
phototherapeutics,
aiming
address
limitations
associated
with
achieve
The
challenges
future
perspectives
on
translation
are
also
discussed.
Inorganic Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Фев. 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.
Journal of Medicinal Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 20, 2025
The
application
of
iridium(III)
complexes
in
photodynamic
therapy
(PDT)
is
often
limited
by
their
poor
selectivity
for
cancerous
cells,
necessitating
high
drug
doses
that
increase
the
risk
side
effects.
development
efficient
delivery
systems
such
as
albumin
conjugation
therefore
crucial
to
enhance
tumor-targeted
photosensitizers.
To
date,
vast
majority
metal
exhibit
weak
moderate
binding
with
human
serum
albumin,
limiting
feasibility
this
approach.
overcome
limitation,
rational
design
through
molecular
docking
and
density
functional
theory
calculations
a
novel
Ir(III)
complex
strong
albumin-binding
photosensitizer
described.
herein
reported
compound
has
highest
constant
ever
an
iridium
complex,
it
showed
photocatalytically
produce
reactive
oxygen
species
upon
blue
light
irradiation.
presented
well
structural
derivatives
could
have
potential
therapy.
Journal of Chemical Theory and Computation,
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 1, 2025
Swift
discovery
of
spin-crossover
materials
for
their
potential
application
in
electronic
and
quantum
devices
requires
techniques
that
enable
efficient
identification
suitable
candidates.
To
this
end,
we
screened
the
Cambridge
Structural
Database
to
develop
a
specialized
database
1439
computed
spin-switching
energies
from
density
functional
theory
each
material.
The
was
used
train
an
equivariant
graph
convolution
neural
network
predict
magnitude
spin-conversion
energy.
A
test
mean
absolute
error
360
meV.
For
candidate
identification,
equipped
system
with
relevance-based
classifier.
This
approach
leads
nearly
4-fold
improvement
identifying
systems
interest
as
compared
conventional
high-throughput
screening.
