Journal of Agricultural and Food Chemistry,
Journal Year:
2024,
Volume and Issue:
unknown
Published: April 10, 2024
Quinazoline
compounds
have
gained
significant
attention
in
the
fields
of
agriculture
and
chemistry
due
to
their
diverse
activities.
In
this
study,
we
focused
on
a
series
quinazoline
derivatives
(4a–l).
The
objectives
involved
multiple
aspects,
including
preparation,
evaluation
agricultural
bioactivity
against
maize
aphid
(Rhopalosiphum
maidis),
estimation
structure–activity
relationships
(SAR),
conducting
molecular
docking
analysis.
results
bioactivities
revealed
that
compound
(4b)
possesses
highest
insecticidal
activity,
other
good
potential
as
agents.
We
conducted
SARs
also
investigation
elucidate
binding
modes
interactions
these
with
target
proteins
relevant
bioactivity.
provided
valuable
information
affinities
interactions,
aiding
rationalization
observed
trends.
enzyme,
acetylcholinesterase
(AChE),
was
docked
12
synthetic
Among
compounds,
(4b),
(4i),
(4e)exhibited
affinity,
scores
(S)
−7.96,
−7.83,
−7.73
kcal/mol,
respectively.
They
were
followed
by
(4d)
(S
=
−7.57
kcal/mol),
(4c)
−7.53
(4g)
−7.34
(4f)
−7.23
(4h)
−7.14
(4k)
−6.61
(4j)
−6.57
(4a)
−6.28
finally
(4l)
−6.01
kcal/mol).
These
shown
variety
within
2ACE
active
site,
evidenced
protein–ligand
configurations.
This
study
gives
evidence
those
AChE-inhibitory
capabilities
and,
hence,
may
be
used
for
AChE-targeting
development.
Also,
findings
highlight
agents
provide
insights
design
development
some
enhanced
crop
protection.
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
Applied Organometallic Chemistry,
Journal Year:
2024,
Volume and Issue:
38(11)
Published: July 28, 2024
Novel
compounds
with
pharmacological
activity
were
synthesized
from
Pd
(II),
Fe
(III),
Cr
Ni
and
Cu
(II)
ions
4‐{2‐(3‐carboxy‐1‐cyclopropyl‐6‐fluoro‐7‐piperazin‐1‐yl‐2,3‐dihydro‐1H‐quinolin‐4‐ylideneamino)‐phenylimino}‐1‐cyclopropyl‐6‐fluoro‐7‐piperazin‐1‐yl‐1,4‐dihydro‐quinoline‐3‐carboxylic
acid
(CFPD).
The
newly
have
been
investigated
by
1
H‐
13
C‐NMR
spectra,
Fourier
transform
infrared
CHN
analyses,
ultraviolet‐visible
mass
molar
conductivity,
magnetic
moment
measurements.
In
addition,
the
pH
profile
of
CFPD
complexes
showed
remarkable
stability,
their
stability
constant
was
identified
in
solution.
To
find
out
essential
characteristics
for
its
to
investigate
molecular
geometry,
computational
analysis
occurred.
Through
nitrogen
OH
carboxylate
groups,
ligand
interacted
metal
form
CFPDPd
complex
a
square
planar
geometry
CFPDCu,
CFPDCr,
CFPDNi,
CFPDFe
octahedral
geometry.
M:L
ratio
1:1
demonstrated
sequence
variation
techniques’
outcomes.
effect
imine
on
bacterial
community
chelate
examined
within
vitro
using
range
fungal
viral
pathogens
findings
that
effectiveness
antimicrobial
went
directive:
when
compared
highly
suppressor
complex,
fluconazol
ofloxacin
as
model
medication.
novel
ligand’s
complexes’
cytotoxic
potential
against
Hep‐G2,
MCF‐7,
HCT‐116
cell
lines
also
studied.
once
more
indicated
that,
vinblastine
medication,
is
most
active
agent.
high
reactivity
catching
free
radicals
antioxidant
examined.
By
application
viscosity,
spectrum
analysis,
gel
electrophoreses,
interaction
among
chelates
DNA
determined.
Studies
viscosity
spectrophotometric
titration
every
substance
test
strong
binder.
Increased
hydrophobic
electrostatic
interactions
between
aromatic
rings
could
be
cause
this.
conclusion,
these
effective
bioactive
agents.
