Frontiers in Molecular Biosciences,
Год журнала:
2022,
Номер
9
Опубликована: Ноя. 17, 2022
According
to
the
World
Health
Organisation
(WHO),
as
of
week
23
2022,
there
were
more
than
1,311
cases
dengue
in
Malaysia,
with
13
deaths
reported.
Furthermore,
was
an
increase
65.7%
during
same
period
2021.
Despite
cumulative
incidence,
is
no
effective
antiviral
drug
available
for
treatment.
This
work
aimed
evaluate
several
nitro-benzylidene
phenazine
compounds,
especially
those
that
contain
4-hydroxy-3,5-
bis
((2-(4-nitrophenyl)hydrazinylidene)-methyl)benzoate
through
pharmacophore
queries
selection
method
potential
virus
2
(DENV2)
NS2B-NS3
protease
inhibitors.
Herein,
molecular
docking
employed
correlate
energies
selected
hits’
free
binding
and
their
affinities.
Pan
assay
interference
compounds
(PAINS)
filter
also
adopted
identify
assess
drug-likeness,
toxicity,
mutagenicity
potentials,
pharmacokinetic
profiles
select
hit
can
be
considered
lead
DENV2
Molecular
dynamics
assessment
two
derivatives
bearing
dinitro
hydroxy
groups
at
benzylidene
ring
showed
stability
main
pocket
protease,
where
MM-PBSA
between
-22.53
-17.01
kcal/mol.
reports
hits
52–55%
efficiency
candidates.
Therefore,
further
optimisation
required
minimise
compounds’
toxicity
mutagenicity.
Cell Communication and Signaling,
Год журнала:
2025,
Номер
23(1)
Опубликована: Янв. 13, 2025
Autophagy
dysfunction
is
associated
with
changes
in
autophagy-related
genes.
Various
factors
are
connected
to
autophagy,
and
the
mechanism
regulating
autophagy
highly
complicated.
Epigenetic
changes,
such
as
aberrant
expression
of
histone
demethylase,
actively
not
only
oncogenesis
but
also
inflammatory
responses.
Among
post-translational
modifications,
lysine
methylation
holds
significant
importance.
There
over
30
members
demethylases
(KDMs),
which
act
epigenetic
regulators
physiological
processes
diseases.
Importantly,
KDMs
abnormally
expressed
regulation
cellular
inflammation,
representing
a
crucial
affecting
inflammation-related
This
article
reviewed
function
proteins
inflammation.
Specifically,
It
focused
on
specific
regulatory
mechanisms
underlying
activation
or
inhibition
well
their
abnormal
By
analyzing
each
KDM
modification,
this
review
provides
reliable
theoretical
basis
for
clinical
decision
marking
regarding
abnormalities
Molecules,
Год журнала:
2022,
Номер
27(7), С. 2341 - 2341
Опубликована: Апрель 5, 2022
There
is
currently
a
worldwide
consensus
and
recognition
of
the
undoubted
health
benefits
so-called
Mediterranean
diet,
with
its
intake
being
associated
lower
risk
mortality.
The
most
important
characteristics
this
type
diet
are
based
on
consumption
significant
amounts
fruit,
vegetables,
legumes,
nuts,
which
provide,
in
addition
to
some
active
ingredients,
fiber
proportion
vegetable
protein,
together
extra
virgin
olive
oil
(EVOO)
as
main
sources
fat.
Fish
meat
from
poultry
other
small
farm
animals
protein.
One
components,
already
mentioned,
EVOO,
rich
monounsaturated
fatty
acids
lesser
extent
polyunsaturated
acids.
nutrient
also
provides
an
set
phytochemicals
whose
potential
widely
spread
agreed
upon.
These
include
anthocyanins,
stilbenes,
flavonoids,
phenolic
acids,
terpenes
varying
complexities.
Therefore,
inclusion
molecules,
proven
healthy
effect,
unquestionable
preventive
and/or
curative
activity
group
pathologies
related
cardiovascular,
infectious,
cancerous
diseases,
well
those
metabolic
syndrome.
aim
review
therefore
shed
light
nutraceutical
role
two
present
Olea
europaea
fruit
leaf
extracts,
polyphenols,
triterpenes,
animal
growth.
Their
immunomodulatory,
anti-infective,
antioxidant,
anti-aging,
anti-carcinogenic
capabilities
show
them
be
nutraceuticals,
providing
Frontiers in Pharmacology,
Год журнала:
2021,
Номер
12
Опубликована: Ноя. 26, 2021
The
current
Coronavirus
disease
2019
(COVID-19)
pandemic
has
become
a
global
challenge,
and
although
vaccines
have
been
developed,
it
is
expected
that
mild
to
moderate
patients
will
control
their
symptoms,
especially
in
developing
countries.
Licorice,
not
only
food
additive,
but
also
common
traditional
Chinese
herbal
medicine,
which
several
pharmacological
effects,
such
as
anti-inflammation,
detoxification,
antibacterial,
antitussive,
immunomodulatory
respiratory
diseases.
Since
the
outbreak
of
COVID-19,
glycyrrhizin,
glycyrrhizin
diamine
extract
widely
studied
used
COVID-19
clinical
trials.
Therefore,
very
interesting
topic
explore
material
basis,
characteristics
molecular
mechanism
licorice
adjuvant
treatment
COVID-19.
In
this
paper,
basis
for
prevention
deeply
analyzed,
there
are
significant
differences
among
different
components
mechanisms.
Glycyrrhizin
glycyrrhetinic
acid
inhibit
synthesis
inflammatory
factors
mediators
by
blocking
binding
ACE
2
virus
spike
protein,
exert
antiviral
antibacterial
effects.
Immune
cells
stimulated
multiple
targets
pathways
interfere
with
pathogenesis
Liquiritin
can
prevent
cure
simulating
type
I
interferon.
It
suggested
its
therapeutic
advantage
through
multi-components
multi-targets.
To
sum
up,
potential
treat
plays
role
anti-inflammation
anti-ACE-2,
significantly
improves
symptoms
fever,
dry
cough
shortness
breath,
suggesting
be
candidate
drug
early
/
Journal of Agricultural and Food Chemistry,
Год журнала:
2022,
Номер
70(45), С. 14403 - 14413
Опубликована: Ноя. 1, 2022
COVID-19
is
initiated
by
binding
the
SARS-CoV-2
spike
protein
to
angiotensin-converting
enzyme
2
(ACE2)
on
host
cells.
Food
factors
capable
of
suppressing
between
and
ACE2
or
reducing
availability
through
inhibitions
may
potentially
reduce
risk
infection
COVID-19.
In
this
study,
chemical
compositions
clove
water
ethanol
extracts
were
investigated,
along
with
their
potentials
in
protein-ACE2
binding,
availability,
scavenging
free
radicals.
Thirty-four
compounds
tentatively
identified
extracts,
six
reported
for
first
time.
Clove
dose-dependently
suppressed
inhibited
activity.
The
extract
had
stronger
inhibitory
effects
than
a
dry
weight
basis.
also
more
potent
radical
activities
against
DPPH•
ABTS•+
(536.9
3525.06
μmol
TE/g,
respectively)
(58.44
2298.01
respectively).
contrast,
greater
total
phenolic
content
(TPC)
relative
HO•
capacity
(HOSC)
values
(180.03
mg
GAE/g
2181.08
(120.12
1483.02
present
study
demonstrated
potential
development.
International Journal of Molecular Sciences,
Год журнала:
2021,
Номер
22(21), С. 11483 - 11483
Опубликована: Окт. 25, 2021
Despite
the
protracted
battle
against
coronavirus
acute
respiratory
infection
(COVID-19)
and
rapid
evolution
of
severe
syndrome
2
(SARS-CoV-2),
no
specific
effective
drugs
have
to
date
been
reported.
Angiotensin-converting
enzyme
(ACE2)
is
a
zinc
metalloproteinase
critical
modulator
renin-angiotensin
system
(RAS).
In
addition,
ACE2
has
anti-inflammatory
antifibrosis
functions.
ACE
become
widely
known
in
past
decade
as
it
identified
primary
receptor
for
SARS-CoV
SARS-CoV-2,
being
closely
associated
with
their
infection.
SARS-CoV-2
primarily
targets
lung,
which
induces
cytokine
storm
by
infecting
alveolar
cells,
resulting
tissue
damage
eventually
syndrome.
innate
immunity
acts
line
defense
pathogens,
including
SARS-CoV-2.
This
review
aims
summarize
regulation
ACE2,
lung
host
cells
resist
invasion
activating
response.
Finally,
we
discuss
therapeutic
target,
providing
reference
enlightenment
clinical
treatment
COVID-19.
Frontiers in Drug Discovery,
Год журнала:
2022,
Номер
2
Опубликована: Апрель 25, 2022
Blocking
protein-protein
interactions
(PPIs)
involved
in
the
initiation
of
cell
attachment
and
entry
viruses
is
an
important
antiviral
mechanism
action
including
for
neutralizing
antibodies.
Doing
it
with
small-molecule
inhibitors
(SMIs)
challenging,
as
all
other
PPIs,
might
require
exploration
chemical
space
beyond
that
typical
drug-like
structures.
However,
could
lead
to
new
agents
suitable
oral
administration
acting
on
alternative
targets,
considerations
are
essential
development
widely
acceptable
broad-spectrum
preventive
or
curative
therapeutics.
Fostemsavir,
antiretroviral
acts
via
blocking
gp120–CD4
PPI,
supports
feasibility
concept.
Here,
a
brief
review
relevant
drug
design
presented
together
summary
progress
made
toward
identification
SMIs
targeting
PPI
between
SARS-CoV-2
spike
protein
ACE2
initiates
viral
cellular
this
coronavirus
causing
COVID-19
pandemic.
identified
various
screening
assays
were
also
confirmed
have
activity
live
virus
pseudovirus
assay
IC
50
<
30
µM
so
far
include
several
organic
dyes
(methylene
blue,
Evans
Congo
red,
direct
violet
1),
verteporfin,
DRI-C23041,
cannabigerolic
cannabidiolic
acids.
While
specificity
profiles
still
need
improvement,
results
already
provide
proof-of-principle
evidence
SARS-CoV-2-S–hACE2
PPI.
Methylene
which
approved
clinical
use,
orally
bioactive,
act
by
multiple
mechanisms
action,
potential
repurposing
prevention
treatment.
International Journal of Molecular Sciences,
Год журнала:
2022,
Номер
23(23), С. 15109 - 15109
Опубликована: Дек. 1, 2022
Autophagy
is
essential
for
the
maintenance
of
hepatic
homeostasis,
and
autophagic
malfunction
has
been
linked
to
pathogenesis
substantial
liver
diseases.
As
a
popular
source
drug
discovery,
natural
products
have
used
centuries
effectively
prevent
progression
various
Emerging
evidence
suggested
that
autophagy
regulation
critical
mechanism
underlying
therapeutic
effects
these
products.
In
this
review,
relevant
studies
are
retrieved
from
scientific
databases
published
between
2011
2022,
novel
scoring
system
was
established
critically
evaluate
completeness
significance
reviewed
literature.
We
observed
numerous
were
regulate
flux.
Depending
on
or
pathogenic
role
plays
in
different
diseases,
autophagy-regulative
exhibit
effects.
According
our
system,
considerable
amount
involved
studies,
convincing
reasonable
elucidate
regulatory
mechanisms
natural-product-mediated
missing
needed
further
illustration.
highlight
valuable
candidates
with
promising
prospects
treatment
diseases
deserve
more
attention
future.
PLoS ONE,
Год журнала:
2023,
Номер
18(5), С. e0285722 - e0285722
Опубликована: Май 18, 2023
An
epidemic
of
Corona
Virus
Disease
2019
(COVID-19)
caused
by
severe
acute
respiratory
syndrome
coronavirus
2
(SARS-CoV-2)
is
spreading
worldwide.
Moreover,
the
emergence
SARS-CoV-2
variants
concern,
such
as
Delta
and
Omicron,
has
seriously
challenged
application
current
therapeutics
including
vaccination
drugs.
Relying
on
interaction
spike
protein
with
receptor
angiotensin-converting
enzymes
(ACE2),
successfully
invades
to
host
cells,
which
indicates
a
strategy
that
identification
small-molecular
compounds
block
entry
great
significance
for
COVID-19
prevention.
Our
study
evaluated
potential
efficacy
natural
compound
oxalic
acid
(OA)
an
inhibitory
agent
against
invasion,
particular
binding
domain
(RBD)
Omicron
ACE2.
By
employing
competitive
assay
in
vitro
,
OA
significantly
blocked
RBDs
from
B.1.617.2
B.1.1.529
ACE2,
but
no
effect
wide-type
strain.
Furthermore,
inhibited
entries
pseudovirus
into
ACE2
high
expressing-HEK293T
cells.
surface
plasmon
resonance
(SPR)
assay,
direct
bindings
RBD
were
analyzed
had
both
affinities
.
Molecular
docking
predicted
sites
RBD-ACE2
complex
it
showed
similar
abilities
variant
or
In
conclusion,
we
provided
promising
novel
small-molecule
antiviral
candidate
blocking
cellular
variants.