Applied Organometallic Chemistry,
Год журнала:
2025,
Номер
39(5)
Опубликована: Апрель 20, 2025
ABSTRACT
This
study
presents
the
synthesis,
characterization,
and
biological
evaluation
of
novel
Ni(II)
Cu(II)
metal
complexes
formed
with
imidazoleacetic
acid
(IA)
an
imidazole‐based
ligand
(IM).
The
novelty
this
work
lies
in
development
these
metal–ligand
frameworks
their
enhanced
properties,
which
surpass
those
free
ligands.
A
comprehensive
suite
analytical
techniques,
including
elemental
analysis,
IR
spectroscopy,
magnetic
moment
measurements,
electronic
spectra,
mass
spectrometry,
thermal
DFT
calculations,
confirmed
successful
formation
NiIAIM
CuIAIM
a
1:1:1
(M:IA:IM)
stoichiometry
octahedral
geometry.
calculations
revealed
that
coordination
effectively
lowered
energy
gap,
increasing
softness
reactivity,
thereby
enhancing
predicted
activity.
Antimicrobial
studies
demonstrated
both
exhibited
superior
antibacterial
potency
against
Gram‐positive
Gram‐negative
bacteria
compared
to
ligands,
activity
comparable
standard
antibiotic
Chloramphenicol.
Furthermore,
showed
significant
antifungal
efficacy
Candida
albicans
Aspergillus
niger
,
again
outperforming
uncoordinated
Minimum
inhibition
concentration
(MIC)
values
further
validate
potent
antimicrobial
effects.
Additionally,
displayed
promising
anti‐inflammatory
activity,
complex
demonstrating
highest
potency,
approaching
drugs
based
on
IC
50
values.
Molecular
docking
DNA
gyrase
B
as
most
candidate,
showing
strong
binding
affinity
through
multiple
hydrogen
bonds
key
amino
residues,
highlighting
its
potential
mechanism.
In
conclusion,
synthesized
represent
new
agents,
significantly
These
findings
pave
way
for
exploration
metal‐based
therapeutics
combating
infectious
diseases
inflammation.
Applied Organometallic Chemistry,
Год журнала:
2024,
Номер
unknown
Опубликована: Ноя. 18, 2024
ABSTRACT
This
research
article
provides
a
comprehensive
analysis
of
the
preparation,
structural
characterization,
3D
modeling,
and
biological
screening
two
novel
formulated
metal
complexes,
NiPDBZNPH
CuPDBZNPH.
These
complexes
were
obtained
by
combining
2,2′‐pyridine‐2,6‐diylbis(1
H
‐benzimidazole)
(PDBZ)
2‐hydroxy‐naphthaldehyde
Schiff‐base
(NPH)
ligands
with
Ni(II)
Cu(II)
ions,
resulting
in
compounds
[Ni
(NPH)(PDBZ)(Cl)]
[Cu
(NPH)(PDBZ)(Cl)],
respectively.
Spectroscopic
analytical
techniques
confirmed
that
both
exhibit
octahedral
geometry
around
central
ion.
Computational
studies
using
density
functional
theory
(DFT)
corroborated
molecular
structures
investigated
quantum
chemical
properties
complexes.
A
series
vitro
assays
conducted
to
assess
their
anti‐inflammatory,
antifungal,
antibacterial,
antioxidant
properties,
revealing
enhanced
bioactivity
compared
uncoordinated
ligands.
The
potential
CuPDBZNPH
as
therapeutic
candidates
was
also
explored
through
interactions
calf
thymus
DNA
(CT‐DNA).
Molecular
docking
simulations
targeting
specific
protein
receptors
performed
evaluate
binding
affinities
ligand–protein
interactions,
results
highlighting
significant
within
enzyme
active
sites.
findings
emphasize
pivotal
role
metal–ligand
coordination
enhancing
pharmacological
contribute
valuable
insights
toward
design
for
use
medicinal
chemistry
pharmaceutical
research.
