Bioactive bacterial cellulose/chitosan/sodium alginate composite film functionalized with Moringa oleifera seed extract: Antimicrobial, anticancer, and molecular docking studies
International Journal of Biological Macromolecules,
Год журнала:
2025,
Номер
unknown, С. 141958 - 141958
Опубликована: Март 1, 2025
Язык: Английский
Phytochemical baicalin potentially inhibits Bcl-2 and VEGF: an in silico approach
Frontiers in Bioinformatics,
Год журнала:
2025,
Номер
5
Опубликована: Фев. 19, 2025
The
rising
prevalence
of
cancer
cells
exhibits
uncontrolled
growth
and
invasive
aggressive
properties,
leading
to
metastasis,
which
poses
a
significant
challenge
for
global
health.
Central
development
are
proteins
such
as
NF-kB,
p53,
VEGF,
BAX/Bcl-2,
play
important
roles
in
angiogenesis,
cell
apoptosis
regulation,
tumor
growth.
This
silico
study
evaluates
the
activity
six
different
natural
well
novel
therapeutic
strategies
against
cancer.
Using
computational
approach,
i.e.,
virtual
screening,
molecular
docking,
dynamics
(MD)
simulations,
binding
affinities
interactions
selected
phytochemicals
with
cancer-specific
were
analyzed.
Key
criteria
selection
included
affinity,
stability,
pharmacokinetic
toxicological
properties.
Post-selection,
ligand-protein
further
examined
through
MD
simulations
conducted
using
Desmond-Maestro
2020-4
on
Linux-based
HP
Z2
workstation,
providing
an
insight
into
conformational
changes
stability
inhibitor-protein
complexes.
was
complemented
by
ADMET
predictions
assess
pharmacokinetics
profiles.
Our
findings
reveal
that
out
phytochemicals,
baicalin
exhibited
most
promising
results,
docking
scores
-9.2
kcal/mol
-9.0
Bcl-2
VEGF
receptors,
respectively.
simulation
(100
ns)
confirmed
baicalin-protein
interactions,
supported
hydrophobic
intermolecular
hydrogen
bonds.
RMSD
RMSF
values
exhibit
acceptable
minimum
(3.5-6
Å)
BAX/Bcl-2.
highlights
potential
baicalin,
phytochemical
known
anti-cancerous,
anti-apoptotic,
anti-proliferative
candidate
treatment.
Further
exploration
validation
its
inhibitory
mechanisms
could
open
avenue
approaches
oncology.
Язык: Английский
Computational Insights into the Inhibition of Cell Division in Staphylococcus aureus: Towards Novel Therapeutics
Computational Biology and Chemistry,
Год журнала:
2025,
Номер
117, С. 108391 - 108391
Опубликована: Фев. 26, 2025
Язык: Английский
Hepatoprotective, Lipid-Lowering and Antioxidant Effects of Mangaba Powder (Hancornia speciosa) Administered to Rats Fed a High-Fat Diet
Foods,
Год журнала:
2024,
Номер
13(23), С. 3773 - 3773
Опубликована: Ноя. 25, 2024
The
aim
of
this
study
was
to
evaluate
the
potential
effects
administering
mangaba
powder
on
liver
function
and
somatic,
oxidative
lipid
metabolism
parameters
in
rats
fed
a
high-fat
diet.
Prepared
has
important
amounts
phenolic
compounds,
vitamin
C,
dietary
fiber
oligosaccharides.
A
total
32
adult
Wistar
were
initially
randomized
into
two
groups
for
biological
assay:
normal-fat
(NF,
n
=
16)
(HF,
diets
21
days.
These
subsequently
subdivided
four
groups:
NF
(n
8),
HF
diet
with
administration
(NFMG,
8)
(HFMG,
8).
treatment
(400
mg/kg)
lasted
an
additional
28
Compared
rats,
HFMG
showed
8%
reduction
body
mass
index.
Treatment
reduced
serum
cholesterol
by
18%,
as
well
hepatic
deposition
triacylglycerides
26%
25%,
addition
increasing
bile
acid
synthesis
77%
organ.
Mangaba
consumption
attenuated
degree
steatosis,
peroxidation
increased
antioxidant
capacity
rats.
results
show
that
had
lipid-lowering,
hepatoprotective
effects,
especially
which
may
be
associated
additive
synergistic
action
between
bioactive
compounds
present
product.
Язык: Английский