Nucleosides Nucleotides & Nucleic Acids,
Год журнала:
2024,
Номер
unknown, С. 1 - 18
Опубликована: Май 30, 2024
In
this
communication,
an
innovative
and
straightforward
protocol
for
the
one-pot
catalytic
synthesis
of
bis(indolyl)pyrimidine
derivatives
their
DNA
binding
abilities
is
presented.
The
involves
condensation
indole
with
diverse
substituted
pyrimidine-5-carbaldehydes,
employing
cost-effective
reusable
Sr-Al
supported
nanophosphors,
specifically
strontium
aluminate
(SrAl2O4),
as
a
catalyst.
particular,
method
does
not
require
use
toxic
solvents.
nanophosphorus
catalyst
exhibited
sustained
activity
over
multiple
cycles
showed
no
significant
decline
while
maintaining
its
strictly
heterogeneous
properties.
were
extensively
characterized
using
spectroscopic
analytical
techniques.
Furthermore,
interaction
between
these
CT-DNA
was
investigated
by
absorption
spectroscopy,
viscosity
measurement,
in
silico
molecular
docking
studies.
Photoinduced
cleavage
studies
demonstrated
photonuclease
compound
against
pUC19
upon
exposure
to
UV-visible
radiation.
Journal of Taibah University for Science,
Год журнала:
2024,
Номер
18(1)
Опубликована: Май 12, 2024
2-Guanidinobenzimidazole
(BIG)
and
Imidiazole
(I)
ligands
were
utilized
to
synthesize
Cu(II),
VO(II),
Ag(I),
Pd(II)
as
mixed
ligand
complexes.
All
studied
molecules
characterized
through
various
spectral,
analytical
computational
studies
find
out
their
chemical
structure.
TGA
was
applied
identify
the
occurrence
of
H2O
besides
mono-nuclear
property
isolated
These
complexes
proved
DFT
study
confirm
coordinating
site
that
proposed
displays
optimal
three-dimensional
structures
compounds.
The
binding
affinity
tested
with
CT-DNA
has
been
agarose
gel,
electronic
spectroscopy
viscosity
measurements.
Furthermore,
might
bind
electrostatically
exterior
contact,
replacement,
intercalation
groove
surface
good
affinity.
In-vitro
anti-bacterial,
anti-fungi,
cytotoxic
antioxidant
activities
are
performed
for
all
MOE-docking
simulation
results
indicate
promising
inhibitory
features
BIGIPd
complexes,
in
agreement
in-vitro
results.
Applied Organometallic Chemistry,
Год журнала:
2024,
Номер
38(9)
Опубликована: Июнь 23, 2024
Some
novel
Fe
III
,
Cu
II
and
Pd
chelates
incorporating
N′‐(1‐methyl‐2‐oxoindolin‐3‐ylidene)benzohydrazide
(MIBA)
were
fabricated.
The
tested
compounds
investigated
using
thermogravimetric
analysis
(TGA),
CHN,
spectra
(IR,
mass
spectra,
NMR),
melting
point,
magnetic
moments,
molar
conductance,
ultraviolet–visible
spectroscopy,
powder
X‐ray
diffraction,
computational
studies.
conductance
results
showed
that
the
are
electrolytes.
Magnetic
electronic
applied
to
deduce
coordinating
ability
of
ligand,
geometric
structure
studied
is
found
be
octahedral,
distorted
square
planar
for
chelates,
respectively.
TGA
study
these
complexes
displays
hydrated
H
2
O
molecules,
acetate,
nitrate
removed
in
first
second
degradation
steps
followed
directly
by
ligand
leaving
metal
oxide
as
residue.
thermodynamic
factors,
like
ΔS*,
ΔH*,
E*,
A,
ΔG*
evaluated
from
curves
explained.
density
functional
theory
(DFT)/B3LYP
computation
method
was
estimation
molecular
electrostatic
potential
(MEP;
highest
occupied
orbital
[HOMO]
lowest
unoccupied
[LUMO])
energy
compounds.
In
an
vitro
study,
antimicrobial
effects
prepared
screened
on
various
strains
bacteria
fungi.
It
exposed
a
good
biological
efficacy
through
IC
50
close
reference
drugs
antitumor
against
(MCF‐7,
Hep‐G2,
HC‐T116)
cell
lines.
data
obtained
displayed
promising
activity.
antioxidant
DPPH
assay.
explained
dynamic
satisfying
performance.
Also,
crystal
structures
breast
cancer
protein
(PDB
ID:
3HB5)
Escherichia
coli
2VF5)
performed
docking
simulation.
Data
simulation
suggestions
which
have
behavior
well
obvious
benefit
pharmaceutical
business.
This
study
investigates
the
phenolic
compounds
(PC),
volatile
(VC),
and
fatty
acids
(FA)
of
extra
virgin
olive
oil
(EVOO)
derived
from
Turkish
variety
"Sarı
Ulak",
along
with
ADMET,
DFT,
molecular
docking,
gene
network
analyses
significant
molecules
identified
within
EVOO.
Chromatographic
methods
(GC-FID,
HPLC)
were
employed
to
characterize
FA,
PC,
VC
profiles,
while
quality
parameters,
antioxidant
activities
(TAC,
ABTS,
DPPH)
assessed
via
spectrophotometry.
The
analysis
revealed
a
complex
composition
40
compounds,
estragole,
7-hydroxyheptene-1,
3-methoxycinnamaldehyde
as
primary
components.
Hydroxytyrosol,
tyrosol,
oleuropein,
apigenin,
ferulic
acid,
vanillic
acid
emerged
main
constituents,
hydroxytyrosol
apigenin
exhibiting
high
bioavailability.
Molecular
docking
highlighted
oleuropein
pinoresinol
strong
binding
affinities,
though
only
hydroxytyrosol,
fully
met
Lipinski
other
drug-likeness
criteria.
DFT
showed
that
have
notable
dipole
moments,
reflecting
polar
asymmetrical
structures.
KEGG
enrichment
further
linked
key
like
pathways
related
lipid
metabolism
atherosclerosis,
underscoring
their
potential
bioactivity
relevance
in
health-related
applications.
