Molecules,
Год журнала:
2024,
Номер
30(1), С. 70 - 70
Опубликована: Дек. 28, 2024
Currently,
a
global
health
crisis
is
being
caused
by
microbial
resistance,
in
which
Acinetobacter
baumannii
plays
crucial
role,
considered
the
highest-priority
microorganism
World
Health
Organization
(WHO)
for
discovering
new
antibiotics.
As
result,
phytochemicals
have
emerged
as
potential
alternative
to
combat
resistant
strains,
since
they
can
exert
antimicrobial
activity
through
various
mechanisms
and,
at
same
time,
represent
more
natural
and
safe
option.
This
study
analyzes
effects
of
guava
leaf
extract
ten
clinical
isolates
extensively
drug-resistant
(XDR)
A.
baumannii,
using
agar
diffusion
technique
microdilution
method
determine
minimum
inhibitory
concentrations
(MICs).
Additionally,
possible
improvements
after
purification
polyphenolic
compounds
synergy
with
antibiotic
gentamicin
are
examined
this
research.
Moreover,
effect
plant
cell
line
A549
derived
from
lung
tissue
was
also
evaluated.
The
exhibited
against
all
strains
studied,
polyphenols
along
combination
improved
activity.
presence
induced
morphological
changes
cells
24
h
exposure.
Therefore,
Psidium
guajava
L.
agent.
Pharmacological Research - Modern Chinese Medicine,
Год журнала:
2024,
Номер
11, С. 100435 - 100435
Опубликована: Май 3, 2024
Obesity
is
currently
a
major
global
concern,
requiring
the
development
of
effective
therapeutics.
This
study
determines
inhibitory
activity
against
FTO
(fat
mass
and
obesity-associated
protein)
food
plant-derived
bioactive
compounds
TCM
(traditional
Chinese
medicine)
importance,
by
in
silico
approaches.
Food
phytochemicals,
such
as
curcumin
(CCMN),
cajaisoflavone
(CJIF),
cyanidin-3-O-glucoside
(C3OG)
pelargonidin-3-glucoside
(P3GS),
were
selected
ligands,
docked
to
FTO.
The
reference
FTO-inhibitor
used
was
meclofenmic
acid
(MCFA).
MDS
(molecular
dynamic
simulations)
accomplished
with
10
ns
run
for
complex
most
potential
phytocompound.
phytochemicals
subjected
bioactivity
scoring,
Lipinski's
rule
five
screening,
ADMET
prediction.
Law
Molecular
docking
demonstrated
binding
energies
-9.4,
-8.8,
-8.7
-8.2
kcal/mol
CCMN,
CJIF,
C3OG
P3GS,
respectively.
inhibitor
MCFA
had
energy
-7.8
kcal/mol,
therefore,
inhibition
capacity
ligands
order
CCMN
>
P3GS
CJIF
MCFA.
residues
His231,
Ser229,
Val228,
Leu109,
Tyr108
Pro93
played
crucial
role
protein-ligands
interaction
displaying
hydrogen
bonds
hydrophobic
contacts.
MDS-based
MM/GB(PB)SA
free
authenticated
(-6.67/-8.77
kcal/mol)
stronger
than
(0.19/-0.02
kcal/mol).
Pharmacological
properties
predicted
comparable
standard.
botanical
origin
are
important
management
obesity.
In
current
study,
all
ingredients,
acceptable
pharmacological
displayed
excellent
affinity
FTO,
compared
FTO_CCMN
more
energetic
stability
FTO_MCFA
using
Overall,
this
paved
basis
FTO-associated
obesity
plant-based
therapeutics
importance
globe.
Microorganisms,
Год журнала:
2025,
Номер
13(2), С. 215 - 215
Опубликована: Янв. 21, 2025
Coffee
is
one
of
the
most
consumed
beverages
around
world.
Its
production
dominated
by
species
Coffea
arabica
and
canephora.
However,
coffee
elaboration
process
leads
to
generating
a
significant
amount
waste,
which
arises
in
various
stages
bean
processing
rich
natural
bioactive
compounds
such
as
phenolic
alkaloids.
Particularly,
chlorogenic
caffeic
acids
have
high
antimicrobial
potential
been
demonstrated
be
effective
against
bacteria
viruses
healthcare
food
relevance,
including
multi-resistant
pathogens.
accumulation
waste
negative
environmental
impact
since
they
can
contaminate
surrounding
environment
due
presence
organic
molecules
caffeine
tannins.
In
this
context,
exploiting
resources
source
with
of,
for
example,
obtained
from
coffee,
has
evaluated
previous
works.
This
review
aims
summarize
current
knowledge
on
properties
its
by-products
their
application
sector
disease
control
agricultural
crops,
particular
emphasis
improving
sustainability
efficiency
agriculture
through
making
use
carries
importance
today’s
society.
Scientific Reports,
Год журнала:
2025,
Номер
15(1)
Опубликована: Март 1, 2025
The
rise
of
methicillin-resistant
Staphylococcus
aureus
(MRSA)
as
a
major
public
health
threat
underscores
critical
need
for
new
antibacterial
strategies.
Quercetin
is
naturally
occurring
flavonoid
with
range
bioactivities,
including
activity
against
S.
aureus.
However,
how
quercetin
inhibits
and
binds
to
its
potential
molecular
target
not
well
understood.
Understanding
the
interaction
bacterial
targets
may
provide
crucial
insights
developing
modified
derivatives
better
drug-like
properties.
To
investigate
in
aureus,
we
employed
targeted
subtractive
proteomics
approach,
which
identified
glycosyltransferase
MurG
novel
target.
Through
rigorous
docking
extensive
250
ns
dynamics
simulations,
was
shown
bind
stably
MurG,
suggesting
mechanism
that
interferes
peptidoglycan
biosynthesis
pathway.
Molecular
Mechanics
Generalized
Born
Surface
Area
(MM-GBSA)
analyses
provided
quantitative
evidence
complex's
stability,
indicating
strong
stable
therapeutic
implications.
Principal
Component
Analysis
(PCA)
further
validated
reduction
MurG's
structural
flexibility
upon
binding,
reinforcing
hypothesis
this
could
effectively
inhibit
biological
function.
identification
provides
foundation
development
novel,
more
effective
agents.
This
strategy,
facilitated
by
proteomics,
also
be
adapted
other
resistant
pathogens,
demonstrating
broad
applicability
fight
antibiotic
resistance.
International Journal of Molecular Sciences,
Год журнала:
2025,
Номер
26(9), С. 4030 - 4030
Опубликована: Апрель 24, 2025
The
global
healthcare
system
is
increasingly
challenged
by
the
rising
prevalence
of
multidrug-resistant
bacteria
and
limited
therapeutic
options
for
related
infections.
Efflux-mediated
antibiotic
resistance
represents
a
significant
obstacle,
primarily
due
to
absence
drugs
specifically
designed
target
bacterial
efflux
pumps.
Recent
research
has
identified
polyphenols,
broad
class
plant-derived
organic
compounds,
as
potential
inhibitors
pump
activity.
This
review
consolidates
data
on
inhibitory
properties
eight
widely
distributed
polyphenols:
curcumin,
quercetin,
luteolin,
tannic
acid,
naringenin,
epigallocatechin-3-gallate,
ellagic
resveratrol.
These
compounds
have
demonstrated
capacity
inhibit
pumps,
either
through
direct
interference
with
protein
function
or
downregulating
expression
genes
encoding
subunits.
Importantly,
several
polyphenols
exhibit
synergistic
interactions
antibiotics,
including
colistin,
ciprofloxacin,
tetracycline.
For
instance,
quercetin
shown
potency
comparable
that
established
such
verapamil
reserpine.
findings
suggest
represent
promising
candidates
development
novel
inhibitors.
However,
further
required
validate
their
efficacy
safety
facilitate
translation
into
clinical
applications
combating
resistance.
European Journal of General Dentistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 25, 2025
Abstract
Objective
Fluoride
varnish
is
a
preventive
management
of
dental
caries.
Matrix
metalloproteinases
(MMPs)
play
major
role
in
the
degradation
extracellular
matrix
process
caries
progression.
Quercetin,
natural
flavonoid,
has
literature
background
with
marked
MMP
inhibitor
activity.
Till
date,
there
no
fluoride
that
both
remineralizing
effect
and
prevention
dentin
breakdown
at
same
time.
Therefore,
novel
containing
tricalcium
phosphate,
quercetin,
sodium
formulated
to
have
greater
action
while
also
preventing
deterioration
dentinal
matrix.
So,
this
study
aimed
evaluate
antimicrobial
efficacy
quercetin
against
Enterococcus
faecalis
Candida
albicans.
Materials
Methods
The
was
prepared
tested
for
potential
applications.
activity
different
concentrations
(25,
50,
100
μL)
oral
pathogens
(E.
C.
albicans)
evaluated
using
agar
well
diffusion
method,
protein
leakage
assay,
cytoplasmic
time
kill
curve
assay.
Results
showed
significant
inhibition
zone
albicans
E.
method.
assays
dose-dependent
relationships
increased
higher
(p
<
0.05).
Conclusion
better
than
commercial
varnish.
