Spectroscopic, Structural Analysis, Molecular Orbital, Molecular Docking, and Antibacterial Activity of the Thiocarbohydrazone Ligand and Its Complexes
Applied Organometallic Chemistry,
Год журнала:
2025,
Номер
39(2)
Опубликована: Янв. 1, 2025
ABSTRACT
New
thiocarbohydrazone
ligand
(N′‐((
E
)‐3,3‐diphenyl‐2,3‐dihydro‐1
H
‐inden‐1‐ylidene)‐2‐((
Z
)‐2‐oxoindolin‐3‐ylidene)hydrazine‐1‐carbothiohydrazide;
2
L)
and
its
Co
(II),
Ni
Fe
(III),
Cu
Cd
Zn
Mn
(II)
complexes
were
prepared
in
good
yields
ranging
from
60%
to
90%
characterized
by
spectroscopic
analytical
tools.
Uv–vis,
magnetic
measurements,
molar
conductivity,
1
H‐NMR
spectra,
elemental
analyses,
FT‐IR
performed.
The
structural
formula
for
the
examined
was
improved
using
Gaussian09
tool.
morphology
of
metal
demonstrated
a
scanning
electron
microscope.
evaluated
their
antimicrobial
properties
against
Streptococcus
mutans
Staphylococcus
aureus
as
G‐positive
bacteria;
Escherichia
coli
,
Klebsiella
pneumoniae
Pseudomonas
aeruginosa
G‐negative
some
species
fungi
Aspergillus
niger
Candida
albicans
.
It
found
that
less
biologically
active
than
targeted
indicated
obtained
inhibition
zone
diameters.
interaction
between
amino
acids
proteins
bacteria
(
typhus
‐3ty7),
E.
‐3t88),
C.
‐5k04)
receptors
investigated
molecular
docking
study
correlate
experimental
theoretical
observations.
Язык: Английский
Preparation, characterization, single-crystal analysis, and cytotoxic assessment of complexes formed by Schiff base and 8-hydroxyquinoline co-ligand with Co(II), Ni(II), and Mn(II) metal ions
Polyhedron,
Год журнала:
2024,
Номер
261, С. 117129 - 117129
Опубликована: Июль 7, 2024
Язык: Английский
Synthesis, characterization, antimicrobial, antioxidant studies, molecular docking and DFT calculations of novel Schiff base and its metal complexes
Journal of Molecular Structure,
Год журнала:
2024,
Номер
unknown, С. 141076 - 141076
Опубликована: Дек. 1, 2024
Язык: Английский
Innovative Bis-Dihydrazothiazolone Derivatives with a 1,4-Xylenyl Spacer: Design, Antimicrobial Prospective and Construction of Several Transition Metal Chelates with Iron, Cobalt and Zinc
Journal of Molecular Structure,
Год журнала:
2024,
Номер
1319, С. 139231 - 139231
Опубликована: Июль 14, 2024
Язык: Английский
Targeted synthesis, structural elucidation, density functional theory, and molecular docking studies of transition metal(II)/(III) complexes of levofloxacin‐based Schiff base for promising their antioxidant and antibacterial applications
Applied Organometallic Chemistry,
Год журнала:
2024,
Номер
38(9)
Опубликована: Июль 30, 2024
Levofloxacin
and
4‐aminoantipyrine
undergo
a
condensation
process
to
synthesize
novel
Schiff
base
ligand
(L).
Metal
complexes
containing
Co(II),
Cu(II),
Cd(II),
Mn(II),
Zn(II),
Cr(III),
Ni(II),
Fe(III)
metal
ions
are
prepared
using
this
ligand.
The
new
its
characterized
by
elemental
analyses,
Fourier
transform
infrared,
mass
spectrometry,
ultraviolet–visible,
magnetic
moment,
1
H‐NMR,
molar
conductivity,
powder
X‐ray
diffraction,
further
thermogravimetric
analysis
(TG,
DTA)
verifies
their
thermal
stability.
ratio
is
1:1,
according
the
analytical
results.
Spectroscopic
methods
reveal
that
expected
have
an
octahedral
geometry
demonstrate
neutral
tridentate
behavior.
It
also
becomes
apparent
from
conductivity
values
all
electrolytic
in
nature
except
zinc(II)
cadmium(II)
which
non‐electrolytes.
Moreover,
bioactivity
of
compounds
investigated.
antibacterial
activity
investigated
relation
various
Gram
‐positive
‐negative
bacteria.
results
give
good
indication
for
higher
than
standard
antibiotic
drug.
Also,
antioxidant
newly
has
been
via
2,2‐diphenyl‐1‐picrylhydrazyle
(DPPH)
free
radical
scavenging
assay.
findings
show
exhibit
activity.
Finally,
theoretical
density
functional
theory
theory/B3LYP
method
molecular
docking
studies
with
two
receptors
3T88
3Q8U
calculated
compounds.
Язык: Английский