Abstract
In
this
study,
several
metal(II)
complexes
(Fe,
Co,
Zn,
and
Ru)
of
an
azo
dye
ligand
(ADL)
that,
apart
from
pyrazole
ring
(PR),
include
anisole
having
(−OCH
3
)
group
at
the
m
‐substitue
phenyl
(L:
(
E
)‐4‐((3‐methoxyphenyl)diazenyl)‐3‐methyl‐1
H
‐pyrazol‐5‐amine)
were
prepared,
characterized,
biological
activity
studies
carried
out.
The
structures
identified
by
elemental
analysis,
FTIR,
UV‐vis,
mass
spectra
(Fe(II)
Co(II)),
1
H‐
13
C
NMR
spectra,
TGA‐DTA.
its
metal
evaluated
for
their
properties
according
to
enzyme
inhibitory
activities.
lowest
K
i
values
Co(II)
complex
against
all
three
GST
(19.48±2.17
μM),
AChE
(22.14±3.74
BChE
(26.39±3.19
μM)
enzymes
verified
as
most
effective
inhibition.
results
suggest
that
obtained
have
good
potentials
be
used
in
further
analyses
explore
new
pharmaceutical
agents.
Journal of Molecular Recognition,
Год журнала:
2022,
Номер
36(3)
Опубликована: Дек. 20, 2022
Atherosclerosis
and
cognitive
impairment
are
both
influenced
by
hyperlipidemia.
Due
to
their
high
margin
of
safety
low
cost,
natural
chemicals
have
recently
attracted
particular
attention
in
the
context
treatment
disease.
Hence,
purpose
this
study
was
investigate
possible
amendatory
impact
ethanol
extract
walnut
(Juglans
regia)
seed
coat
(E-WSC)
on
some
metabolic
enzymes
(glutathione
reductase
(GR),
paraoxonase-1
(PON1),
aldose
(AR),
sorbitol
dehydrogenase
(SDH),
acetylcholinesterase
(AChE),
glutathione
S-transferase
(GST),
butyrylcholinesterase
(BChE))
activity
liver,
kidney,
heart
rats
with
Triton
WR-1339-induced
Rats
were
divided
into
five
groups:
control
group,
HL-Control
group
(Triton
WR-1339
400
mg/kg,
i.p
administered
group),
E-
WSC
+
150
(150
mg/kg,o.d
given
300
(E-
o.d
group)
HL+
E-WSC
(Group
receiving
30
min
prior
administration
i.p).
In
HL-Control,
AR,
SDH,
BChE
enzyme
significantly
increased
all
tissues
compared
control,
while
other
studied
decreased.
The
effects
hyperlipidemia
balance
improved
alterations
investigated
prevented
E-WSC.
As
a
result,
promising
compounds
that
can
be
used
as
adjuvant
therapy
disorders
may
found
powder.
Abstract
6‐phosphogluconate
dehydrogenase
(6PGD)
and
Glucose‐6‐phosphate
(G6PD)
are
crucial
enzymes
involved
in
generating
cellular
reducing
power.
Modifying
the
balance
of
reduced
NADPH
is
considered
essential
for
cancer
advancement
combined
therapeutic
strategies.
Usnic
acid
(UA)
a
physiologically
active
dibenzofuran
derivative.
Carnosic
(CA)
phenolic
diterpene
that
has
been
isolated
from
several
plants.
This
work
evaluated
inhibitory
effects
UA
CA
on
G6PD
6PGD
by
vitro
tests.
Molecular
docking
studies
were
employed
to
predict
mechanisms
inhibition.
IC
50
values
determined
be
49.50
μM
77.00
G6PD,
69.30
57.75
6PGD,
respectively.
The
K
i
35.01±7.69
43.46±10.48
104.87±11.86
31.17±2.55
was
identified
as
most
effective
inhibitor
against
whereas
exhibited
best
activity
with
estimated
binding
energies
−8.0
−7.8
kcal/mol,
respectively,
molecular
studies.
Ultimately,
it
shown
results
obtained
silico
methods
study
strongly
associated.
These
chemicals′
structure
might
assist
creating
medications
focus
pentose
phosphate
pathway.
ChemistrySelect,
Год журнала:
2021,
Номер
6(43), С. 11915 - 11924
Опубликована: Ноя. 16, 2021
Abstract
Glutathione
S‐transferases
(EC
2.5.1.18,
GSTs),
consisting
of
at
least
seven
subfamilies,
such
as
alpha,
kappa,
mu,
pi,
theta,
zeta,
and
omega,
are
the
family
cytosolic
proteins
with
many
known
functions
also
abundant
in
cells.
Moreover,
they
play
significant
roles
influencing
efficacy
bioavailability
pharmaceutical
agents
humans.
It
is
that
multiple
types
cancer
tissue
frequently
have
high
levels
GSTs
compared
to
corresponding
healthy
tissue.
Herein,
firstly,
GST
was
purified
from
human
erythrocytes
by
rapid
straightforward
chromatographic
techniques.
Subsequently,
active
infection
medications,
antimycotics
(amphotericin
B,
anidulafungin,
caspofungin),
antibacterials
(daptomycin,
ertapenem,
tigecycline),
antiviral
(ganciclovir)
were
assessed
for
their
inhibitory
actions
versus
GST.
All
drugs
demonstrated
micromolar
potent
activity
towards
Antifungal
had
K
I
constants
ranging
between
20.60±0.05
μM
50.43±0.12
μM,
whilst
antibacterial
exhibited
KIs
range
20.92±0.09–114.80±0.41
μM.
Daptomycin
ertapenem
competitive
inhibition,
while
other
noncompetitive
inhibition.
amphotericin
B
most
(
=20.60±0.05
μM),
contrast,
drug
ganciclovir
highest
inhibition
constant
=463.10±1.28
μM).
Studying
both
in‐vitro
molecular
docking
interactions
silico
activities
these
medications
complex
GST,
an
enzyme
biologically
important,
demonstrates
caused
associations
detected.
The
results
here
might
provide
structural
guidance
design
more
inhibitors.
Journal of Molecular Recognition,
Год журнала:
2022,
Номер
35(12)
Опубликована: Сен. 8, 2022
Aldose
reductase
(AR,
AKR1B1;
EC
1.1.1.21)
is
an
aldo-keto
that
has
been
widely
investigated
as
enzyme
crucially
involved
in
the
pathogenesis
of
several
chronic
complications,
including
nephropathy,
neuropathy,
retinopathy,
and
cataracts
associated
with
diabetes
mellitus.
Although
sulfonamides
have
reported
to
possess
many
other
biological
activities,
continuation
our
interest
designing
discovering
potent
inhibitors
AR,
herein,
we
evaluated
AR
inhibitory
potential
N-substituted
phthalazine
sulfonamide
derivatives
5a-l.
The
studies
revealed
all
show
excellent
activity
against
KI
constants
ranging
from
67.73
495.20
nM.
Among
these
agents,
4-(6-nitro-1,4-dioxo-1,2,3,4-tetrahydrophthalazine-2-carbonyl)benzenesulfonamide
(5e)
1,4-dioxo-3-(4-sulfamoylbenzoyl)-1,2,3,4-tetrahydrophthalazine-6-carboxylic
acid
(5f)
showed
prominent
values
148.20
nM,
respectively,
vs
were
found
be
more
than
epalrestat
(KI
=
852.50
nM),
only
inhibitor
currently
used
therapy.
Moreover,
molecular
docking
also
performed
rationalize
binding
site
interactions
(5a-l)
target
AR.
According
ADME-Tox,
predicts
determined
ARIs
displaying
suitable
drug-like
properties.
identified
this
study
may
develop
lead
therapeutic
agents
inhibiting
diabetic
complications.
Chemistry & Biodiversity,
Год журнала:
2022,
Номер
19(6)
Опубликована: Май 13, 2022
Enzyme
activity
alterations
have
been
associated
with
many
metabolism
disorders
and
crucial
roles
in
the
pathogenesis
of
some
diseases.
Tyrosinase
is
a
key
enzyme
melanin
biosynthesis,
which
responsible
for
skin
pigmentation
to
protect
from
solar
radiation.
Pancreatic
lipase
has
considered
treatment
obesity.
Herein,
we
reported
synthesis
inhibitions
series
sulfonates
as
possible
tyrosinase
pancreatic
inhibitors.
According
calculated
IC50
values,
compound
3f
(74.1±11.1
μM)
3c
(86.6±6.9
were
determined
be
best
inhibitors
among
synthesized
compounds
enzymes,
respectively.
The
approach
yielded
at
extremely
high
level
by
creating
very
flexible
structural
domains
chemically
modified
groups.
characterization
target
molecules
was
implemented
1
H-NMR,
13
C-NMR,
HR-MS
analyses.
Also,
molecular
docking
studies
enzymes
conducted
using
AutoDock
Vina
software.
Additionally,
absorption
distribution,
metabolism,
excretion
(ADME)
performed
uncover
compounds'
pharmacokinetics,
drug
similarities,
medicinal
properties
novel
sulfonate
derivatives
bearing
salicylaldehyde.
