Abstract
The
current
research
is
based
on
the
synthesis
of
some
novel
bis
‐Schiff
bases
bearing
barbituric
acid
moiety
followed
by
characterization
through
modern
spectroscopic
techniques
and
their
in
vitro
inhibitory
effects
against
enzymes
α‐glucosidase
α‐amylase
were
subsequently
investigated.
In
series,
four
compounds
8
(IC
50
=
5.62
±
0.18
3.12
0.13
µM),
10
7.13
1.03
8.19
1.11
9
12.81
1.92
12.11
1.32
11
15.07
0.38
16.01
0.28
µM)
attributed
notable
dual
inhibition
better
than
standard
acarbose
drug
16.16
0.15
16.65
0.17
µM).
molecular
docking
study
was
performed
to
explored
binding
affinities
key
interactions
synthesized
with
targeted
proteins
(α‐amylase
α‐glucosidase).
Furthermore,
stability
all
verified
density
functional
theory
(DFT)
method
at
B3LYP/6–311++G(d,p).
For
account
intramolecular
interaction,
DFT‐D3
reduced
gradient
(RDG)
methods
utilized.
addition,
utilising
CAM‐B3LYP
6–311++G(d,p),
TD‐DFT
approach
used
examine
different
reactivity
circumstances.
Nutrients,
Год журнала:
2024,
Номер
16(18), С. 3159 - 3159
Опубликована: Сен. 19, 2024
Type
2
diabetes
(T2D)
is
one
of
the
leading
causes
death
globally.
There
was
a
70%
increase
in
diabetes-related
deaths
between
2000
and
2020,
particularly
among
males.
This
non-communicable
disease
characterized
by
increased
insulin
resistance,
to
elevated
blood
sugar
levels
and,
if
untreated,
resulting
complications
such
as
nerve
damage,
kidney
disease,
blindness,
poor
wound
healing.
T2D
management
includes
dietary
intervention,
physical
exercise,
administration
sugar-lowering
medication.
However,
these
medications
often
have
side
effects
related
intestinal
discomfort.
Therefore,
natural
alternatives
standard
are
being
sought
improve
quality
life
for
individuals
with
this
condition.
Polyphenols,
which
naturally
occurring
plant
metabolites,
emerged
strong
candidates
control.
Various
phenolic
acids
(e.g.,
chlorogenic
acid),
flavonoids
quercetin),
proanthocyanidins
procyanidin
B2),
gallotannins
monogalloyl
hexoside),
ellagitannins
ellagic
acid
hexoside)
can
enhance
sensitivity
tissues,
reduce
chronic
inflammation,
scavenge
free
radicals,
secretion,
inhibit
enzymes
involved
carbohydrate
digestion,
regulate
glucose
transport
across
cell
membranes,
modulate
gut
microbiota.
contribution
compiles
up-to-date
evidence
from
vitro
vivo
studies
on
role
polyphenols
prevention
T2D,
emphasizing
mechanisms
action
underlying
effects.
Journal of Complementary and Integrative Medicine,
Год журнала:
2025,
Номер
unknown
Опубликована: Фев. 17, 2025
Abstract
Objectives
To
evaluate
the
antidepressant-like
effects
of
Phenylthiazolyl-1,3,5-triazine
derivatives
through
behavioral
tests,
molecular
docking,
and
histopathological
analysis
in
a
rat
brain
model
depression.
Methods
were
synthesized
administered
at
dose
30
mg/kg
albino
rats.
Behavioral
assessed
using
Forced
Swim
Test
Tail
Suspension
Test.
Molecular
docking
with
MD
simulations
via
CDocker
was
employed
to
analyze
ligand-receptor
interactions.
Histological
tissues
conducted
assess
structural
vascular
changes.
Results
Among
derivatives,
PS1
PS5
showed
significant
activity
compared
standard
imipramine.
revealed
that
hydrogen
bonding,
pi-pi
interactions,
intermolecular
neighbor
stabilized
complexes.
Histopathological
PS1-treated
rats
demonstrated
preserved
integrity,
reduced
edema,
absence
hydrophobic
alterations.
Conclusions
Phenylthiazolyl-1,3,5-triazines,
particularly
PS1,
exhibit
promising
potential
as
antidepressant
agents.
Their
efficacy
protective
histological
suggest
therapeutic
relevance.
Further
studies
integrating
biomarkers
gene
expression
analyses
are
needed
optimize
these
for
clinical
application.
Natural Product Communications,
Год журнала:
2025,
Номер
20(3)
Опубликована: Март 1, 2025
Background
Diabetes
mellitus
is
marked
with
hyperglycemia
due
to
insulin
impairment
and
could
be
managed
α-glucosidase
inhibitors,
known
have
side
effects.
Therefore,
this
study
profiled
the
in
vitro
anti-diabetic
activity
of
Xylopia
aethiopica
seeds,
isolated
characterized
its
compounds,
silico
these
ligands
against
α-amylase
ascertain
their
benefit-to-risk
ratio.
Methods
The
extraction,
isolation,
characterization,
evaluation
activity,
investigation
extract's
anti-proliferative
breast
cancer
cell
line
(MCF7),
retrieval
α-glucosidase,
ADMET,
docking
studies
were
done
according
standard
protocols;
eluents
using
thin
layer
column
chromatography,
GC-MS;
pharmacokinetic
properties
evaluated
help
PKCSM
ADMET
Lab
2
tools;
analysis
was
performed
PyRx;
Biovia
Discovery
Studio
for
2D
visualization;
PyMol
software
3D
visualization
ligand-protein
interactions.
Results
After
72
h,
cytotoxic
value
MCF-7
57.03
μg/mL.
Additionally,
extract
(0.15)
(1.13)
had
best
inhibitory
(IC
50
)
(µg/ml)
a
dose-dependent
manner
when
compared
favorably
acarbose
(0.12)
(1.09),
respectively.
chromatographic
analyses
yielded
bulked
fractions
(A-D);
fraction
C
(2135
mg)
further
semi-purified
sub-fractions
C2
(AS3)
(17
mg),
C4
(AS8)
(21
C7
(AS11)
(26
xanthumin,
metolachlor,
Z-10-tetradecen-1-ol
acetate,
13-docosenoic
acid
methyl
ester,
alpha-bisabolol
reported
activities
after
GC-MS
analysis.
Docking
7K9N
3BC9
revealed
binding
affinities
(kcal/mol)
1-Chlorotetradecane
(−5.8)
as
well
(−5.2);
1-(4-Bromobutyl)-2-piperidinone
(5.0);
11,12-Dibromo-tetradecan-1-ol
acetate
(5.0)
metformin
(−4.4,
−3.7),
All
compounds
obeyed
Lipinski's
criteria,
showed
inactivity
hepatotoxicity,
carcinogenicity,
immunotoxicity,
non-inhibitors
mono-oxygenases.
Conclusion
These
ligands’
better
antineoplastic
potency,
pharmacokinetic,
affinities,
physicochemical,
drug-like
drugs
imply
they
control
higher
ratio;
hence,
potential
lead
production
drugs.
Processes,
Год журнала:
2024,
Номер
12(11), С. 2341 - 2341
Опубликована: Окт. 25, 2024
Hamamelitannin
(2′,5-di-O-galloyl-hamamelose)
bears
two-gallate
moieties
in
its
structure,
and
is
a
natural
phenolic
product
the
leaves
bark
of
Hamamelis
virginiana.
The
antioxidant
capacity
hamamelitannin
was
evaluated
by
range
methods,
with
following
findings:
ability
to
reduce
potassium
ferric
cyanide;
scavenging
N,N-dimethyl-p-phenylenediamine
dihydrochloride
radical
(DMPD•+);
2,2′-azinobis-(3-ethylbenzothiazoline-6-sulphonate)
(ABTS•+);
1,1-diphenyl-2-picrylhydrazyl
(DPPH•);
cupric
ions
(Cu2+).
Additionally,
reference
antioxidants
α-Tocopherol,
butylated
hydroxyanisole
(BHA),
Trolox,
hydroxytoluene
(BHT)
were
used
for
comparison.
For
DPPH
scavenging,
had
an
IC50
value
19.31
μg/mL,
while
values
BHA,
BHT,
α-Tocopherol
10.10,
25.95,
7.05,
11.31
respectively.
study
found
that
functioned
similarly
α-tocopherol,
Trolox
terms
DPPH•
but
better
than
BHT.
as
polyphenolic
secondary
metabolite,
inhibition
capability
several
metabolic
enzymes
demonstrated,
including
acetylcholinesterase
(AChE),
butyrylcholinesterase
(BChE),
carbonic
anhydrase
I
(CA
I),
II
II)
α-glycosidase.
Ki
exhibited
7.40,
1.99,
10.18,
18.26,
25.79
nM
toward
AChE,
BChE,
hCA
I,
II,
α-glycosidase,
Heliyon,
Год журнала:
2024,
Номер
10(16), С. e36408 - e36408
Опубликована: Авг. 1, 2024
One
of
the
multifactorial
worldwide
health
syndromes
is
diabetes
mellitus
which
increasing
at
a
disturbing
rate.
The
inhibition
α-glucosidase,
an
enzyme
that
catalyzes
starch
hydrolysis
in
intestine,
one
helpful
therapeutic
approach
for
controlling
hyperglycemia
related
to
type-2
diabetes.
To
discover
α-glucosidase
inhibitors,
some
2-hydrazolyl-4-thiazolidinone
hybrids
(
