Chemistry & Biodiversity,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 16, 2024
This
study
explores
the
therapeutic
potential
of
curcumin
(CUR)
in
cancer
therapy,
specifically
examining
its
targeted
transport
through
folate
receptors
and
interaction
with
certain
proteins
breast
cell
lines.
We
employed
molecular
docking
technique
to
assess
binding
affinities
CUR
1H1Q,
1UOM,
4JDD,
5U2D
MCF10A
normal
epithelial
line
protein
5UGB.
Out
these,
CUR-1H1Q
complex
exhibited
greatest
affinity.
To
stability
this
a
biological
setting,
we
conducted
dynamics
simulations
1H1Q-CUR
for
duration
100
ns.
The
demonstrated
an
extremely
stable
Cα-backbone,
exhibiting
consistently
low
root
mean
square
deviation.
radius
gyration
measurements
suggested
condensed
structure
specific
areas
flexibility.
simulation
revealed
consistent
hydrogen
bond
between
indicating
robust
long-lasting
two
molecules.
results
indicate
that
cytotoxicity
on
MCF7
lines
is
mainly
affected
by
interactions
several
found
these
cells.
Among
four
tested,
1H1Q
has
influence.
high
affinity
curcumin,
which
creation
complexes,
seems
trigger
death.
Curcumin's
biocompatibility
toxicological
effects
were
investigated
both
cancerous
enhanced
toxicity
lines,
while
demonstrating
reduced
Dalton Transactions,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 1, 2025
The
rise
of
various
diseases
demands
the
development
new
agents
with
antioxidant,
antimicrobial,
anti-inflammatory,
enzyme-inhibiting,
and
cytotoxic
properties.
In
this
study,
heterocyclic
Schiff
base
complexes
Cu(II)
featuring
a
benzo[b]thiophene
moiety
were
synthesized
their
biological
activities
evaluated.
characterized
using
FT-IR,
UV-Vis,
EPR
spectroscopy,
TG-DTG
analysis,
magnetic
moment
measurements,
molar
conductivity
elemental
analyses.
Density
functional
theory
(DFT)
calculations
used
to
optimize
theoretical
molecular
orbital
energies
copper
complexes.
exhibited
square
pyramidal
planar
geometries.
Biological
assays
demonstrated
that
these
generally
outperformed
ligands
for
activities.
antioxidant
capacity,
measured
via
DPPH
assay
in
methanol,
was
comparable
those
BHT
ascorbic
acid
standards,
4BNPC
showing
lowest
IC50
value,
which
attributed
free
OH
group
rather
than
coordination
metal
center.
anti-bacterial
activity
assessed
agar
disc
diffusion
method
against
E.
coli,
P.
aeruginosa,
B.
subtilis,
S.
aureus,
BAC
largest
inhibition
zone
compared
others
ciprofloxacin
as
reference.
anti-inflammatory
activity,
evaluated
by
HRBC
membrane
stabilization
method,
showed
complex
had
moderate
similar
diclofenac.
Enzyme
studies
α-amylase
revealed
highest
values,
surpassing
ligands.
Cytotoxicity
Trypan
blue
exclusion
DLA
HepG2
cancer
cell
lines,
MTT
H9c2
human
cells.
BMPC
superior
cytotoxicity
at
both
high
low
concentrations
normal
line.
Among
tested
compounds,
BNPC
cells,
while
greatest
higher
concentrations,
particularly
reaching
nearly
100%
death
200
μg
mL-1
lines.
This
suggests
is
promising
candidate
further
pharmacological
research,
New Journal of Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 1, 2025
Urgent
need
for
new
treatments
to
combat
rising
health
issues.
Research
focuses
on
compounds
that
fight
oxidation,
microbes,
inflammation,
while
targeting
specific
cells
and
blocking
harmful
enzymes.
Results in Chemistry,
Год журнала:
2024,
Номер
10, С. 101706 - 101706
Опубликована: Авг. 1, 2024
One
of
the
major
neurodegenerative
disorders,
Alzheimer's
disease
(AD)
was
targeted
in
current
study
synthesizing
bis-Schiff
bases
derivatives.
All
synthesized
scaffolds
were
found
to
have
a
range
IC50
values
(2.50
±
0.10
µM
19.20
µM)
for
AChE
and
(3.60
19.90
0.20
BuChE
enzyme
comparison
reference
drug
donepezil
(10.10
11.50
µM).
Among
members
novel
series,
analogue
9
exhibited
surpassing
potential
against
both
enzymes.
Additionally,
anti-fungal
anti-bacterial
also
determined,
where
analog
showed
higher
inhibition
(46.5
%)
8
displayed
strong
(35.5
as
anti-bacterial.
Furthermore,
silico
molecular
docking
approach
employed
explore
linkage
between
active
site
proteins
ligands.
ADMET
analysis
conducted
this
predicted
nature
lead
compounds.
The
reactivity
potent
compounds
attack
electrophile
nucleophile
elucidated
via
DFT.
Moreover,
basic
structural
skeleton
derivatives
characterized
through
modern
methods
structure
elucidation
such
HREI-MS,
1H
NMR
13C
NMR.
