Applied Organometallic Chemistry,
Год журнала:
2024,
Номер
unknown
Опубликована: Ноя. 5, 2024
ABSTRACT
Novel
bioactive
ternary
nickel
(II)
complexes,
[Ni(5BrSal‐Phe)(phen)]
(
1
)
and
[Ni(5BrSal‐Tyr)(phen)]
2
(5BrSal‐Tyr:
Schiff
base
derived
from
5‐bromosalicylaldehyde
L‐tyrosine,
5BrSal‐Phe:
L‐phenylalanine,
phen:
1,10‐phenanthroline),
have
been
synthesized
characterized
by
electronic
absorption
spectroscopy,
CHN,
FTIR,
ESI‐MS
X‐ray
crystallography
techniques.
Interaction
of
the
complexes
with
biomolecules
(calf
thymus
DNA
(CT‐DNA)
bovine
serum
albumin
(BSA))
has
investigated
fluorescence
spectroscopy.
The
results
show
that
can
bind
to
CT‐DNA
via
a
minor
groove
binding
mode.
Moreover,
quenching
mechanism
between
BSA
is
static
process.
antiproliferative
activities
against
breast
cancer
cells
(MCF‐7
MDA‐MB‐231)
healthy
epithelial
(MCF‐10A)
were
investigated.
complex
was
found
promising
activity
in
selected
cell
line,
lower
IC
50
values
than
cisplatin.
Molecular
docking
studies
suggest
may
serve
as
potential
chemotherapeutic
agents.
These
observed
interact
various
targets
within
cells,
including
epidermal
growth
factor
receptor
(EGFR),
(BSA),
B‐DNA.
Analyses
indicate
these
interactions
are
supported
not
only
conventional
hydrogen
bonds
but
also
van
der
Waals
forces
π‐π
interactions.
Additionally,
determining
constants
regions
enhances
our
understanding
how
target
molecules.
emphasize
importance
therapy
highlighting
necessity
their
molecular‐level
targets.
Applied Organometallic Chemistry,
Год журнала:
2025,
Номер
39(2)
Опубликована: Янв. 26, 2025
ABSTRACT
The
present
work
demonstrates
the
synthesis
of
ester
and
ferrocene
groups
containing
new
terpyridine‐based
ligands
(
FRL
RL
)
their
selected
meal
complexes
FR‐Fe
,
FR‐Ru
RL‐Fe
RL‐Ru
.
Investigations
on
influence
binding
to
DNA/BSA
anticancer
activity
were
carried
out.
All
these
products
structurally
characterized
by
using
spectroscopic
analytical
techniques.
Notably,
molecular
structures
both
ester‐based
Fe(III)
complex
confirmed
single‐crystal
X‐ray
diffraction
analysis.
Additionally,
theoretical
calculations
employed
further
establish
synthesized
metal
complexes,
which
subsequently
utilized
for
docking
studies
evaluate
potential.
results
revealed
best
orientation
with
lowest
possible
energy
−10.20
kcal/mol
BSA
−8.30
DNA.
Furthermore,
interactions
all
compounds
investigated
UV–visible
absorption
(UV)
fluorescence
spectroscopy
(FL).
sites
constants
determined
Stern‐Volmer
equation.
Moreover,
cytotoxicity
assays
performed
against
lung
cancer
(A549),
liver
(Hep
G2),
normal
Vero
cell
lines,
benchmarked
cisplatin.
ligand
exhibited
significant
cytotoxic
action
an
IC
50
54.51
μM
compared
related
(i.e.,
69.86
μM)
A549
cells.
But
displayed
56.19
Hep
G2
cells,
demonstrating
better
potency
over
This
article
reports
the
synthesis,
characterization,
and
antitumor
properties
of
newly
synthesized
benzimidazole-based
Ag(I)-(BNHCs)
complexes
from
their
proligands.
All
compounds
underwent
comprehensive
characterization
using
techniques
such
as
1H,
COSY,
13C
NMR,
IR
spectroscopy,
electrospray
ionization
(ESI)-mass,
elemental,
single-crystal
X-ray
diffraction
(XRD)
analysis.
Density
functional
theory
(DFT)
studies
were
carried
out
to
observe
electronic
effects
bound
ligands
modulate
selectivity
reactivity
silver
complexes.
Time-dependent
DFT
(TD-DFT)
assessed
optical
further
highlighted
by
orbital
contributions
with
oscillator
strengths.
tested
against
breast
cancer
MCF-7
T47D
cell
lines.
The
synergistic
benzimidazole-incorporated
aryl
constituent
structuring
also
observed.
Nearly
all
have
been
found
be
promising
anticancer
agents
added
benefit
low
cytotoxic
toward
normal
cells.
Intriguingly,
[AgL
4
(Cl)]
exhibited
best
activity
among
our
screened
IC50
values
for
both
9
±
1.04
11
1.41,
respectively.
apoptosis
mode
death
was
confirmed
phosphatidylserine
exposure
annexin
V/PI
staining
imaging
method.
CT-DNA
interactions
most
active
complex
([AgL
(Cl)])
its
proligand
(HL
(Cl))
support
compound-DNA
interaction.
Strong
DNA
binding
affinities
(K
b)
through
electrostatic
intercalation
modes
induced
structural
changes
in
DNA.
Moreover,
molecular
docking
comprehend
possible
various
receptors
EGFR
(epidermal
growth
factor
receptor),
VEGFR2
(vascular
endothelial
receptors),
FGFR
(fibroblast
SRC
(proto-oncogene
tyrosine
kinase
protein)
family
serves
crucial
cancer.
Applied Organometallic Chemistry,
Год журнала:
2025,
Номер
39(6)
Опубликована: Май 25, 2025
ABSTRACT
A
series
of
eight
heteroleptic
derivatives
titanium(IV)
has
been
synthesized
and
characterized
systematically
employing
physico‐chemical
methods.
Derivatives
Ti
1
[(C
37
H
32
N
2
O
6
)Ti],
38
34
3
31
FN
4
ClN
5
BrN
8
7
F
)Ti]
were
developed
by
refluxing
an
anhydrous
benzene
solution
Ti(OPr
i
)
,
acetylacetone,
appropriate
bidentate
ligands
(L
‑L
in
1:2:1
stoichiometry.
The
electronic
structure
properties
complexes
(Ti
‑Ti
studied
density
functional
theory
(DFT).
UV–Visible
method
was
used
to
determine
the
stability
at
periodic
intervals.
Binding
interactions
bovine
serum
albumin
(BSA)
calf
thymus
DNA
(CT‐DNA)
with
corresponding
assessed
spectroscopic
techniques
such
as
absorption,
fluorescence,
circular
dichroism
have
established
intercalation
static
quenching
for
BSA
effective
manner.
docking
investigations
also
revealed
that
‐Ti
are
well
engaged
via
intercalative
mode
favorably
occupy
active
site
protein
through
hydrogen
bonding.
Furthermore,
cytotoxicity
against
A549
(lung
carcinoma)
cell
lines
MTT
(methylthiazolyldiphenyl‐tetrazolium)
assay,
IC
50
values
found
be
range
from
16.77
75.60
μM.
displayed
significant
apoptosis
induced
cycle
arrest
G
phase
line.
Applied Organometallic Chemistry,
Год журнала:
2024,
Номер
38(12)
Опубликована: Авг. 13, 2024
ABSTRACT
A
novel
ternary
Ni(II)
complexes,
[Ni(5Clsal‐phe)(phen)(H
2
O)]
(
1
)
and
[Ni(5Clsal‐phe)(bpy)(H
O)]CH
3
OH
),
(Schiff
base
derived
from
the
condensation
of
L‐phenylalanine
5‐chlorosalicylaldehyde,
phen:
1,10‐phenanthroline,
bpy:
2,2′‐bipyridine)
has
been
synthesized.
The
structure
complexes
was
clarified
by
CHN
analysis,
FTIR,
electronic
absorption
spectroscopy,
ESI‐MS,
X‐ray
single
crystal
diffraction
methods.
In
biological
activity
studies,
interactions
with
calf
thymus
DNA
(CT‐DNA)
were
examined
using
fluorescence
spectroscopy.
results
show
that
could
bind
to
CT‐DNA
via
a
minor
groove
mode.
bovine
serum
albumin
(BSA)
investigated
spectroscopy
techniques,
BSA
quenching
mechanism
found.
radical
scavenging
in
comparison
hederacolchiside,
taxifoline,
hederasaponin,
arachidonoyl
dopamine,
silychristin
used
as
standard.
Molecular
docking
simulations
employed
investigate
between
biomolecules
such
BSA.
revealed
insert
into
at
subdomains
I
IIA.
These
are
facilitated
conventional
hydrogen
bonds,
van
der
Waals
forces,
alkyl,
π‐alkyl
interactions.
Analytical Methods,
Год журнала:
2024,
Номер
unknown
Опубликована: Ноя. 13, 2024
A
lipophilic
terpyridine
containing
an
ester
group
at
the
end
of
alkyl
chain
functions
as
a
probe
for
selective
determination
Zn
2+
under
biological
conditions
with
LODs
106
nM
(solution-phase)
and
115
(test
paper
strip).
