Abstract
This
work
presents
the
designing
and
characterization
of
two
novel
metal
complexes
derived
from
a
Schiff
base,
N
,
’‐ethane‐1,2‐diylbis[1‐(2‐chloroquinolin‐3‐yl)methanimine]
(EBCQ),
coordinated
with
Ni
(II)
(NiEBCQ),
Cu
(CuEBCQ).
Structures
complex
derivatives
were
proposed
utilizing
variety
analytical
methods
having
elemental
analysis,
ultraviolet‐visible
spectroscopy,
mass
infrared
magnetic
properties,
conductivity
measurement,
thermal
analysis.
The
obtained
data
revealed
octahedral
geometries
for
both
NiEBCQ
CuEBCQ
complexes,
denoted
as
[Ni(EBCQ)(H
2
O)
(Cl)
]
[Cu(EBCQ)(H
],
respectively.
Density
functional
theory
computations
employed
confirming
molecular
structures
exploring
quantum
chemical
parameters
EBCQ
its
derivatives.
anti‐inflammatory
results
reveal
that
ligand
NiEBCQ,
CuEBCQ,
exhibit
varying
degrees
inhibition,
showing
highest
potency.
achieved
89.80%
inhibition
at
300
µM,
an
IC
50
value
86.38
indicating
superior
activity
compared
to
(
92.33
µM)
169.07
µM).
In
antioxidant
assays,
again
showed
most
pronounced
activity,
achieving
74.16
outperforming
89.06
101.58
antibacterial
tests
confirmed
complexes'
superiority,
particularly
which
displayed
excellent
against
Bacillus
cereus
ligand.
Molecular
docking
studies
targeting
specific
proteins
(5IKT
human
cyclo‐oxygenase‐2,
5IJT
peroxiredoxin
2)
performed
assess
binding
affinities
interactions
propose
promising
potential
application
therapeutic
agents
diverse
biological
activities.
Finally,
effectiveness
monitored
opposed
several
Gram‐positive
Gram‐negative
bacteria.
Chemistry & Biodiversity,
Год журнала:
2024,
Номер
unknown
Опубликована: Июль 15, 2024
Abstract
5‐(Cyanomethyl)‐3‐((5,5‐dimethyl‐3‐oxocyclohex‐1‐en‐1‐yl)amino)‐1
H
‐pyrazole‐4‐carbonitrile
(
3
)
is
used
as
a
key
for
the
synthesis
of
arylidenes
5
–
f
via
its
reaction
with
some
aldehydes
4
.
5‐[(5,5‐Dimethyl‐3‐oxocyclohex‐1‐en‐1‐yl)amino]‐3‐(2‐imino‐2H‐chromen‐3‐yl)‐1H‐pyrazole‐4‐carbonitrile
7
was
synthesized
compound
2‐Hydroxybenzaldehyde
in
EtOH/piperidine.
The
target
compounds
were
tested
against
cotton
leafworm
larvae
their
second
and
fourth
instar.
available
data
demonstrated
that
LC
50
values
commercial
phenylpyrazole
3.37
mg/L
4.55
most
affected
compound,
b
chemical
structure
has
two
cyano
moieties,
pyrazole
ring
chlorophenyl,
which
may
be
increasing
it
efficiency.
Evaluation
latent
effects
examined
on
various
biological
parameters,
including
adult
longevity,
pupal
weight,
proportion
normal,
deformed
pupae,
emergency,
fecundity,
egg
hatchability,
done
an
additional
effort
to
slightly
improve
insecticidal
compounds.
Seven
subjected
molecular
docking
analysis
glutamate‐activated
chloride
channels.
Twelve
artificial
PDB
ID
4COF
study
gamma‐aminobutyric
acid
receptor
(GABA).
Journal of Umm Al-Qura University for Applied Sciences,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 3, 2025
Abstract
This
study
focused
on
the
design
and
stractural
characterization
of
two
new
transition
metal
complexes
derived
from
Tryptophan
(Trp)
2,2'-bipyridine
(Bip),
coordinated
with
Iron(III)
(FeTrpBip)
Cobalt(II)
(CoTrpBip)
ions.
Structural
elucidation
these
was
achieved
using
a
range
advanced
analytical
techniques.
Thermal
analysis
revealed
stability
decomposition
behaviors
complexes.
The
data
indicated
that
both
FeTrpBip
CoTrpBip
exhibit
octahedral
coordination
geometries,
structural
formulas
identified
as
[Fe(Trp)(Bip)(Cl)
2
]
[Co(Trp)(Bip)(Cl)(H
O)],
respectively.
To
support
experimental
data,
Density
Functional
Theory
(DFT)
calculations
had
been
performed.
These
confirmed
proposed
structures
provided
detailed
quantum
chemical
parameters,
including
HOMO–LUMO
energies,
molecular
orbitals,
electronic
distributions,
which
are
important
for
understanding
complexes'
reactivity.
Further,
extensive
in
vitro
biological
evaluations
assessed
antifungal
antibacterial
evaluation
synthesized
bioassays
demonstrated
displayed
significantly
enhanced
bioactivity
compared
to
free
ligands,
indicating
synergistic
effect
efficacy
ligands.
Molecular
docking
studies
were
subsequently
conducted
explore
mechanisms
action
at
level,
specifically
targeting
E.
coli
FabH–CoA
(PDB
ID:
1HNJ).
FabH
receptor,
essential
fatty
acid
biosynthesis,
chosen
evaluate
antimicrobial
potential
Docking
simulations
valuable
insights
into
binding
affinities,
interaction
key
amino
residues
involved
process.
results
highlight
significant
therapeutic
complexes,
positioning
them
promising
reagents
further
development
medical
science.
observed
effects
due
underscore
advance
therapies
address
challenges
associated
resistant
strains.
Chemistry & Biodiversity,
Год журнала:
2024,
Номер
21(11)
Опубликована: Июль 22, 2024
Abstract
In
this
work,
a
novel
series
of
N
‐(arylcarbamothioyl)arylmide)
2–11
were
synthesized
by
treating
One‐Pot
three‐multicomponent
Aroyl
chloride,
ammonium
isothiocyanate
and
amine
compounds
under
refluxing
conditions.
Using
spectroscopic
methods,
the
chemical
structure
novelty
developed
investigated.
After
five
days,
proposed
derivatives’
insecticidal
bioassay
was
assessed
using
median
lethal
concentration
(LC
50
)
against
second
&
fourth
larvae
Spodoptera
frugiperda
as
toxicity
agents.
The
findings
showed
that,
to
varying
degrees,
every
tested
substance
exerted
effects
on
S.
in
both
their
instars.
Compound
9
most
poisonous
them
all,
having
an
LC
instars
60.45
123.21
mg/L,
respectively.
Additionally,
few
biological
biochemical
characteristics
substances
that
generated
lab
setting
also
looked
at.
Furthermore,
work
discusses
how
discover
may
one
day
be
employed
Finally,
all
designed
components
monitored
for
antibacterial
effectiveness
toward
Gram‐positive
Gram‐negative
bacteria.
