Macromolecular Symposia,
Год журнала:
2025,
Номер
414(1)
Опубликована: Фев. 1, 2025
Abstract
This
research
entails
a
comprehensive
assessment
involving
the
measurement
of
prolyl
glycosidase
levels
and
calcium
concentrations
within
cohort
rats,
which
are
subjected
to
induce
myocardial
infarction
through
subperitoneal
injection
physiological
solutions
following
an
18‐h
fasting
period.
The
experimental
rats
meticulously
partitioned
into
five
distinct
groups
facilitate
comparative
analysis.
initial
group
serves
as
healthy
control,
providing
baseline
reference,
while
fifth
is
administered
pharmaceutical
agent
simvastatin.
intermediary
varying
flavonoids,
specifically
extracted
from
rosemary
plant
utilizing
advanced
high‐performance
liquid
chromatography
(HPLC)
technology.
study's
design
carefully
constructed
discern
impact
these
interventions
on
in
context
induced
infarction.
substances,
particularly
simvastatin
varied
rosemary‐derived
strategically
chosen
elucidate
their
potential
influences
measured
biochemical
parameters.
utilization
HPLC
technology
for
extraction
flavonoids
ensures
precise
controlled
administration
compounds
groups.
allows
nuanced
exploration
effects
delineation
markers
contributes
deeper
understanding
therapeutic
implications,
paving
way
further
investigations
potentially
innovative
cardiovascular
health.
Canadian Journal of Chemistry,
Год журнала:
2022,
Номер
101(1), С. 11 - 24
Опубликована: Авг. 30, 2022
Computational
chemistry
approach
based
on
density
functional
theory
(DFT)
was
utilized
to
investigate
the
interaction,
adsorption
behaviour,
electronic
and
structural
properties
of
nanostructured
complexes
formed
by
4-(4-(bis(2-chloroethyl)amino)phenyl)butanoic
acid
(CPB)
all
carbon
fullerene
nanocage,
(C
24
NC),
boron
functionalized
nanocage
NC@B@CPB),
carboxylate
NC@COOH@CPB),
amino
NC@NH
2
@CPB),
hydroxy
NC@OH@CPB)
materials.
To
understand
effectively
interaction
drug
surface,
topological
analysis
conducted
via
atoms
in
molecule
(quantum
molecules)
noncovalent
approach.
Electronic
such
as
quantum
chemical
descriptors,
natural
bond
orbital
nonlinear
optics
are
equally
considered
reported.
All
computations
were
achieved
at
B3LYP-D3
ωB97XD
levels
with
6-311++G(d,
p)
basis
set.
The
results
indicate
that
energy
CPB
C
NC
its
derivatives
range
−0.52
2.89
eV
indicating
physisorption
chemisorption
mechanism
prevalent
mechanisms
adsorption.
23
B@CPB,
OH@CPB,
NH
@CPB
observed
possess
best
characteristics
be
transport
vehicles
for
due
their
strong
nature
(chemisorption)
solubility
solution.
Saudi Pharmaceutical Journal,
Год журнала:
2024,
Номер
32(7), С. 102107 - 102107
Опубликована: Май 25, 2024
Aging
is
a
natural
process
that
occurs
in
all
living
organisms.
Particularly,
the
skin
embodies
aging
since
it
serves
as
barrier
between
body
and
its
surroundings.
Previously,
we
reported
wound
healing
effect
of
Launaea
procumbens
identified
compounds
therein.
The
study
aims
to
explore
anti-aging
properties
plant
extract.
To
effect,
antioxidant
potential
L.
methanolic
extract
(LPM)
was
assessed
using
two
complementary
DPPH
FRAP
assays.
enzyme
inhibitory
on
collagenase,
elastase,
hyaluronidase,
tyrosinase
evaluated
assess
direct
effects.
Similarly,
anti-inflammatory
activity
indirect
effects
via
assessment
cyclooxygenase-2
(COX-2)
5-lipoxygenase
(5-LOX).
In
addition,
ADMET
molecular
docking
studies
were
performed
interaction
mechanisms
LPM
with
target
enzymes.
demonstrated
significant
(IC50
=
29.08
µg/mL)
(1214.67
µM
FeSO4/g
extract)
Plant
showed
inhibition
52.68,
43.76,
31.031,
37.13
µg/mL,
respectively).
COX-2
5-LOX
capacity
IC50
values
8.635
10.851
respectively.
revealed
high
bind
active
sites
enzymes
crucially
involved
process.
analysis
their
good
absorption,
distribution,
metabolism
profiles,
they
found
be
safe
well.
Study
findings
suggest
promising
source
for
development
compounds.
This,
turn,
may
facilitate
incorporation
into
cosmetic
formulations
after
further
investigation.
Journal of Biomolecular Structure and Dynamics,
Год журнала:
2022,
Номер
41(19), С. 10136 - 10160
Опубликована: Дек. 15, 2022
In
this
study,
two
novel
derivatives
of
naphthalene-2-sulfonic
acid:
6-(((1S,5R)-3,5-dichloro-2,4,6-triazabicyclo
[z3.1.0]hex-3-en-1-yl)amino)-5-((E)-phenyldiazenyl)naphthalene-2-sulfonic
acid
(DTPS1)
and
(E)-6-((4,6-dichloro-1,3,5-triazine2-yl)amino)-4-hydroxy-3-(phenyldiazenyl)naphthalene-2-sulfonic
(DTPS2)
have
been
synthesized
characterized
using
FT-IR,
UV-vis,
NMR
spectroscopic
techniques.
Applying
density
functional
theory
(DFT)
at
the
B3LYP,
APFD,
PBEPBE,
HCTH,
TPSSTPSS,
ωB97XD/aug-cc-pVDZ
level
theories
for
electronic
structural
properties.
In-vitro
analysis,
molecular
docking,
dynamic
(MD)
simulation
compounds
was
conducted
to
investigate
anti-inflammatory
potential
COXs
enzymes.
Docking
indicates
binding
affinity
-9.57,
-9.60,
-6.77
-7.37
kcal/mol
DTPS1,
DTPS2,
Ibuprofen
Diclofenac
which
agrees
with
in-vitro
assay.
Results
MD
simulation,
sulphonic
group
in
DTPS1
has
>
30%
interaction
hydroxyl
oxygen
atoms
amino
residues,
but
35%
DTPS2.
It
can
be
said
that
DTPS2
induce
inhibitory
effect
on
halt
biosynthesis
prostaglandins
(PGs),
a
chief
mediator
inflammation
pain
mammals.Communicated
by
Ramaswamy
H.
Sarma.
