Bulletin of the Chemical Society of Ethiopia,
Journal Year:
2024,
Volume and Issue:
38(2), P. 325 - 346
Published: Jan. 23, 2024
New
2-[(4-[(4-methylphenyl)sulfonothioyl)methylene]aminobenzoic
acid
ligand-Co(II),
Ni(II),
and
Cu(II)
complexes
are
synthesized
characterized
in
this
article.
Elemental
analysis,
mass
spectroscopy,
conductivity
tests,
magnetic
susceptibility,
Fourier
transform
infrared
thermogravimetric
electronic
absorption
density
functional
theory
calculations
were
used
to
determine
the
coordination
mode,
geometry
of
compounds.
The
Schiff-base
ligand
was
shown
be
mono-negatively
charged
coordinate
metal
ions
a
bi-dentate
mode
through
azomethine
nitrogen
(-CH=N-)
carboxylic
Oxygen
(-COOH).
Density
(DFT)
performed
addition
experimental
data
assess
most
probable
structures
complexes.
In
addition,
biological
activities
these
compounds
evaluated
by
vitro
antibacterial
antifungal
assays.
These
novel
Co(II),
active
against
wide
variety
microorganisms,
including
Gram-positive
Gram-negative
bacteria,
as
well
fungi.
Following
that,
molecular
docking
analyze
complexes'
interactions
with
bacterial
proteins,
validating
therapeutic
potential
metal-containing
compounds.
KEY
WORDS:
Metal
complexes,
Schiff-base,
DFT,
Antibacterial,
Antifungal,
Molecular
docking
Bull.
Chem.
Soc.
Ethiop.
2024,
38(2),
325-346.
DOI:
https://dx.doi.org/10.4314/bcse.v38i2.5
ACS Omega,
Journal Year:
2024,
Volume and Issue:
9(6), P. 6466 - 6481
Published: Feb. 1, 2024
The
main
target
of
the
current
framework
is
designing
and
synthesizing
novel
iron(III),
cobalt(II),
cupper(II)
complex
compounds
emanating
from
bioactive
nucleus,
4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
ligand,
to
enhance
comprehension
as
potential
antibacterial,
antifungal,
antioxidant
alternatives
by
means
using
DFT
calculations
molecular
docking
investigation.
Thus,
new
complexes
had
been
synthesized
characterized
various
analytical
techniques,
including
elemental
analysis,
infrared
spectroscopy,
mass
spectrometry,
UV
conductivity,
magnetic
testing,
well
thermal
analysis.
ligand
exhibits
monobasic
bidentate
OO
donor
properties
toward
metal
core,
shown
its
spectroscopic
characteristics.
use
analysis
techniques
allows
for
identification
characterization
water
molecules
present
inside
complexes,
determination
their
distribution
patterns.
structures
free
have
verified
through
density
functional
theory
(DFT)
simulations.
These
simulations
also
provide
a
valuable
understanding
quantum
chemical
characteristics
associated
with
these
structures.
In
vitro
experiments
were
conducted
evaluate
antioxidant,
antifungal
corresponding
compounds.
DATA
revealed
that
heightened
biological
efficacy
related
unbound
ligand.
Furthermore,
was
done
understand
interactions
between
studied
proteins
derived
Escherichia
coli
(pdb
ID:
2vf5),
Aspergillus
flavus
3cku),
humans
5IJT),
which
are
considered
be
significant
in
drug
design.
Lastly,
correlation
efficacies
data
analyzed.
Journal of Agricultural and Food Chemistry,
Journal Year:
2024,
Volume and Issue:
72(20), P. 11369 - 11380
Published: May 10, 2024
In
keeping
with
our
investigation,
a
simple
and
practical
synthesis
of
novel
heterocyclic
compounds
sulfamoyl
moiety
that
can
be
employed
as
insecticidal
agents
was
reported.
The
compound
2-hydrazinyl-
Bulletin of the Chemical Society of Ethiopia,
Journal Year:
2024,
Volume and Issue:
38(2), P. 397 - 416
Published: Jan. 23, 2024
The
primary
objective
of
the
current
framework
was
to
synthesize
novel
mononuclear
1:1:1
complexes
involving
FeLG,
CoLG,
NiLG,
CuLG,
and
ZnLG,
where
ligand
(L)
is
identified
as
4-[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazono]methylphenyl-4-methylbenzenesulfonate,
glycine
(G)
serves
co-ligand.
Comprehensive
characterization
investigated
achieved
through
various
analytical
techniques,
including
FTIR,
UV-Vis
spectroscopy,
elemental
analysis,
mass
spectra,
magnetic
susceptibility
measurements,
molar
conductivity
assessments,
thermogravimetric
analysis
(TGA).
determination
stoichiometry
performed
employing
ratio
technique,
revealing
octahedral
geometry
inherent
in
isolated
metal
complexes.
Employing
a
density
functional
theory
(DFT)
approach,
molecular
structures
designated
compounds
were
theoretically
elevated,
quantum
chemical
descriptors
derived
provide
deeper
insight
into
their
electronic
properties.
Furthermore,
inhibitory
potential
these
against
fungal
strains
pathogenic
bacteria
prevalent
Arab
environment
evaluated
using
disc
diffusion
method,
emphasizing
role
combating
diseases
affecting
humans,
animals,
plants.
Notably,
exhibited
superior
antibacterial
activity,
evidenced
by
higher
activity
index.
Molecular
docking
investigations
conducted
ascertain
effects
on
1FJ4
protein,
with
ZnLG
emerging
compound
highest
binding
affinity.
These
results
suggest
promising
candidacy
antimicrobial
agents,
particularly
context
bacterial
infections.
KEY
WORDS:
Complexes,
Antimicrobial,
DFT,
Schiff
base,
docking
Bull.
Chem.
Soc.
Ethiop.
2024,
38(2),
397-416.
DOI:
https://dx.doi.org/10.4314/bcse.v38i2.9
