International Journal of Environment Agriculture and Biotechnology,
Journal Year:
2022,
Volume and Issue:
7(5), P. 196 - 217
Published: Jan. 1, 2022
Repeated
mutations
in
the
SARS
CoV-2
have
resulted
emergence
of
various
life-threatening
variants
including
omicron,
triggering
a
systemic
crisis
global
human
health.
Due
to
unavailability
any
specific
antiviral
treatment,
effectiveness
currently
available
drugs
or
vaccines
against
this
variant
remains
doubtful.
Phytochemicals
from
their
known
medicinal
plants
were
selected
with
antiviral,
antifungal,
anti-inflammatory,
and
antioxidant
properties
screened
study
therapeutic
potential
druglikeliness
properties.
A
library
15
phytochemicals
was
constructed
binding
energies
calculated
by
docking
them
spike
protein
omicron
using
AutoDock
software.
Subsequently,
pharmacokinetic
like
ADME
drug
likeliness
also
calculated.
Hydroxychloroquine
(HCQ),
an
antimalarial
chosen
as
standard
analysis,
displaying
energy
-5.22
kcal/mol
whereas,
Glycyrrhetic
acid
showed
highest
value
-9.02
kcal/mol.
Besides,
all
these
higher
(≤
-7.00
kcal/mol)
better
leading
viable
candidate
treat
infection
caused
variant.
Advanced Functional Materials,
Journal Year:
2024,
Volume and Issue:
34(22)
Published: Feb. 8, 2024
Abstract
The
self‐assembly
of
phytochemicals
with
multiple
chiral
centers
is
receiving
significant
attention
for
its
potential
in
biomedical
applications.
However,
the
impact
single
center
epimerization
on
molecular
remains
unexplored.
Herein,
behavior
and
bioactivities
1,2,3,4,6‐penta‐O‐galloyl‐α‐D‐glucose
(α‐D‐PGG)
1,2,3,4,6‐penta‐O‐galloyl‐β‐D‐glucose
(β‐D‐PGG)
examined,
a
pair
natural
ellagitannins
abundant
plants.
Interestingly,
β‐D‐PGG
formed
hydrogel
without
modification,
while
α‐D‐PGG
does
not.
This
occurred
due
to
balanced
distribution
aromatic
rings
phenolic
hydroxyl
groups
β‐D‐PGG,
facilitating
via
hydrogen
bonding
π
–
stacking
into
nanofibers.
In
contrast,
α‐D‐PGG's
inhibited
by
steric
hindrance.
Notably,
demonstrated
exceptional
antibacterial
activity
regulating
macrophage
polarization
toward
M2
phenotype,
thereby
reducing
inflammation.
study
not
only
reveals
distinct
behaviors
glucose
derivatives
but
also
offers
new
insights
their
applications,
such
as
wound
healing.
Frontiers in Immunology,
Journal Year:
2022,
Volume and Issue:
13
Published: Aug. 31, 2022
Corona
Virus
Disease
2019
(COVID-19),
an
acute
respiratory
infectious
disease
caused
by
severe
syndrome
coronavirus-2
(SARS-CoV-2),
has
spread
rapidly
worldwide,
resulting
in
a
pandemic
with
high
mortality
rate.
In
clinical
practice,
we
have
noted
that
many
critically
ill
or
patients
COVID-19
present
typical
sepsis-related
manifestations,
including
multiple
organ
dysfunction
syndrome,
coagulopathy,
and
septic
shock.
addition,
it
been
demonstrated
some
pathological
similarities
sepsis,
such
as
cytokine
storm,
hypercoagulable
state
after
blood
balance
is
disrupted
neutrophil
dysfunction.
Considering
the
parallels
between
non-SARS-CoV-2
induced
sepsis
(hereafter
referred
to
sepsis),
aim
of
this
study
was
analyze
underlying
molecular
mechanisms
these
two
diseases
bioinformatics
systems
biology
approach,
providing
new
insights
into
pathogenesis
development
treatments.
Specifically,
gene
expression
profiles
were
obtained
from
Gene
Expression
Omnibus
(GEO)
database
compared
extract
common
differentially
expressed
genes
(DEGs).
Subsequently,
DEGs
used
investigate
genetic
links
sepsis.
Based
on
enrichment
analysis
DEGs,
pathways
closely
related
inflammatory
response
observed,
Cytokine-cytokine
receptor
interaction
pathway
NF-kappa
B
signaling
pathway.
protein-protein
networks
regulatory
constructed,
results
showed
ITGAM
may
be
potential
key
biomarker
base
analysis.
Furthermore,
diagnostic
model
risk
prediction
nomogram
for
constructed
using
machine
learning
methods.
Finally,
therapeutic
agents,
progesterone
emetine,
screened
through
drug-protein
docking
simulations.
We
hope
provide
strategies
future
research
treatment
elucidating
Frontiers in Immunology,
Journal Year:
2023,
Volume and Issue:
14
Published: Feb. 17, 2023
Coronavirus
disease
2019
(COVID-19)
is
a
severe
respiratory
caused
by
infection
with
acute
syndrome
coronavirus
2
(SARS-CoV-2)
that
affects
the
lower
and
upper
tract
in
humans.
SARS-CoV-2
associated
induction
of
cascade
uncontrolled
inflammatory
responses
host,
ultimately
leading
to
hyperinflammation
or
cytokine
storm.
Indeed,
storm
hallmark
immunopathogenesis,
directly
related
severity
mortality
COVID-19
patients.
Considering
lack
any
definitive
treatment
for
COVID-19,
targeting
key
factors
regulate
response
patients
could
be
fundamental
step
developing
effective
therapeutic
strategies
against
infection.
Currently,
addition
well-defined
metabolic
actions,
especially
lipid
metabolism
glucose
utilization,
there
growing
evidence
central
role
ligand-dependent
nuclear
receptors
peroxisome
proliferator-activated
(PPARs)
including
PPARα,
PPARβ/δ,
PPARγ
control
signals
various
human
diseases.
This
makes
them
attractive
targets
approaches
control/suppress
hyperinflammatory
COVID-19.
In
this
review,
we
(1)
investigate
anti-inflammatory
mechanisms
mediated
PPARs
their
ligands
during
infection,
(2)
on
basis
recent
literature,
highlight
importance
PPAR
subtypes
development
promising
Journal of Functional Foods,
Journal Year:
2023,
Volume and Issue:
107, P. 105672 - 105672
Published: July 5, 2023
Previous
study
showed
KYPHVF
has
a
high
angiotensin-converting
enzyme
(ACE)
inhibitory
activity.
This
aimed
to
further
explore
the
in
vitro
simulated
gastrointestinal
digestion
stability,
vivo
antihypertensive,
and
network
pharmacology
of
KYPHVF.
Results
that
was
stable
during
vitro.
absorbed
intact
form
by
Caco-2
cell
monolayer
with
transport
percentage
2.00%,
partially
hydrolyzed
produce
YPHVF
PHVF
through
monolayer.
The
blood
pressures
Spontaneous
hypertensive
rats
(SHRs)
decreased
after
oral
administration
KYPHVF,
might
antihypertensive
effect
lowering
ACE
contents
serum
kidney
SHRs.
Furthermore,
results
indicated
had
44
potential
targets,
showing
multi-target
multi-pathway
characteristics.
Molecular
docking
strong
binding
force
affinity
key
targets.
Scientific Reports,
Journal Year:
2025,
Volume and Issue:
15(1)
Published: April 8, 2025
Rhizomes
of
Drynaria
quercifolia
have
long
been
traditionally
used
to
manage
rheumatic
pain.
However,
there
is
limited
research
supporting
this
traditional
practice
and
insufficient
evidence
demonstrating
the
molecular
mechanisms
action
plant-derived
bioactives
in
rheumatoid
arthritis
(RA).
The
current
study
aims
identify
effective
components
methanol
rhizome
extract
(DME)
their
probable
pharmacological
alleviating
Rheumatoid
Arthritis
(RA)
using
network-pharmacology,
docking,
molecular-dynamics
simulations,
gene
expression-based
validation.
Gas
chromatography-mass
spectrometry
(GC-MS)
based
screening
identified
41
volatile
phytocomponents
from
DME
having
drug-like
potentiality.
Network
pharmacology-based
revealed
117
therapeutic
targets
for
RA
which
11
as
core
targets.
Gene
Ontology
(GO)
Kyoto
Encyclopedia
Genes
Genomes
(KEGG)
enrichment
analysis
indicated
that
key
target
genes
were
mostly
enriched
inflammatory
response
associated
with
multiple
signalling
pathways.
Molecular
docking
dynamics
studies
proteins
like
serine/threonine-protein
kinase
(AKT1),
peroxisome
proliferator-activated
receptor
alpha
(PPARA),
gamma
(PPARG),
exhibited
strong
binding
affinity
stable
interactions
present
DME.
For
experimental
verification
FCA
(Freund's
complete
adjuvant)-induced
chronic
model
employed
further
investigation.
Quantitative
reverse
transcription
polymerase
chain
reaction
(qRT-PCR)
results
validated
significantly
(p
≤
0.05)
regulate
expression
AKT
PPARG
model.
Moreover,
confirmed
downregulated
pro-inflammatory
mediators
COX-2,
IL-6
TNF-α
at
protein
levels
also
normalized
different
oxidative
stress
parameters
both
low
high
dose
groups
DME-treated
arthritic
animals.
In
conclusion,
network-based
silico
approach
probably
act
a
synergistic
way
modulate
RA,
was
by
studies.
Therefore,
could
be
potential
alternative
immunomodulatory
therapies
combat
related
conditions.
Journal of Saudi Chemical Society,
Journal Year:
2024,
Volume and Issue:
28(2), P. 101815 - 101815
Published: Jan. 15, 2024
Licorice
is
extensively
utilized
in
the
food
industry,
and
glycyrrhetinic
acid
among
most
critical
active
constituents
licorice.
This
ingredient
has
garnered
increasing
attention
recent
years.
In
a
previous
study,
we
identified
new
series
of
Glycyrrhetinic
derivatives
containing
piperazine
skeleton,
using
virtual
screening
techniques
based
on
docking.
this
conducted
further
optimization
lead
compound
4c,
with
focus
enhancing
hydrophobic
interactions
binding
site
to
improve
agonist
efficacy
for
peroxisome
proliferator-activated
receptor
γ
(PPARγ).
The
obtained
compounds
were
characterized
1H
NMR,
13C
HRMS,
HPLC.
Furthermore,
these
evaluated
strong
antitumor
activity.
Some
potent
activities
tested
their
PPARγ
Especially,
4f
showed
activity
half
maximal
inhibitory
concentration
(IC50)
values
2.382
μM
against
tumor
cell
lines
Siha.
Docking
simulation
was
performed
position
into
determine
probable
conformation.
Consequently,
discovered
novel
that
demonstrated
high
vitro
Biomedicine,
Journal Year:
2022,
Volume and Issue:
12(3), P. 56 - 71
Published: Aug. 28, 2022
COVID-19
pandemic
has
been
a
global
outbreak
of
coronavirus
(SARS-CoV-2
virus)
since
2019.
Taiwan
Chingguan
Yihau
(NRICM101)
is
the
first
traditional
Chinese
medicine
(TCM)
classic
herbal
formula
and
widely
used
for
patients
in
more
than
50
nations.
This
study
to
investigate
silico
target
fishing
components
NRICM101
explore
whether
inhibits
cytokines-induced
normal
human
lung
cell
injury
vitro.
Our
results
showed
that
network
prediction
by
high
throughput
screening
platform
multiple
functions
may
affect
cytokine
regulation
prevent
injury.
In
addition,
revealed
protective
effects
against
TNF-α/IL-1β-induced
HEL
299
through
JNK
p38MAPK
kinase
signaling.
Next-generation
sequencing
(NGS)
analysis
on
TNF-α/IL-1β-injured
cells
indicated
inflammatory
pathway,
movement
macrophages,
cellular
infiltration
Th1/Th2
immuno-regulation
pathways
were
included.
Thus,
therapeutic
agent,
it
can
improve
syndrome
confer
beneficial
targeting
mechanisms.
Biology,
Journal Year:
2022,
Volume and Issue:
11(12), P. 1827 - 1827
Published: Dec. 15, 2022
SARS-CoV-2
infections
are
highly
correlated
with
the
overexpression
of
pro-inflammatory
cytokines
in
what
is
known
as
a
cytokine
storm,
leading
to
high
fatality
rates.
Such
accompanied
by
SIRS,
ARDS,
and
sepsis,
suggesting
potential
link
between
three
phenotypes.
Currently,
little
about
transcriptional
similarity
these
conditions.
Herein,
weighted
gene
co-expression
network
analysis
(WGCNA)
clustering
was
applied
RNA-seq
datasets
(GSE147902,
GSE66890,
GSE74224,
GSE177477)
identify
modules
co-expressed
genes,
cross
referenced
dataset
GSE160163,
across
samples.
To
assess
transcriptome
similarities
conditions,
module
preservation
performed
functional
enrichment
analyzed
DAVID
webserver.
The
hub
genes
significantly
preserved
were
identified,
classified
into
upregulated
or
downregulated,
used
screen
candidate
drugs
using
Connectivity
Map
(CMap)
repurposed
drugs.
Results
show
that
several
immune
pathways
(chemokine
signaling,
NOD-like
Th1
Th2
cell
differentiation)
conserved
four
diseases.
Hub
screened
intramodular
connectivity
significant
relevance
pathogenesis
storms.
Transcriptomic-driven
drug
repurposing
identified
seven
(SB-202190,
eicosatetraenoic-acid,
loratadine,
TPCA-1,
pinocembrin,
mepacrine,
CAY-10470)
targeted
immune-related
processes.
These
warrant
further
study
their
efficacy
for
treating
storms,
vitro
vivo
experiments
recommended
confirm
findings
this
study.
Inflammopharmacology,
Journal Year:
2022,
Volume and Issue:
30(6), P. 1977 - 1992
Published: Sept. 22, 2022
Abstract
Breakthrough
infections
have
been
reported
in
fully
vaccinated
persons.
Furthermore,
rebound
symptoms
following
the
new
FDA
granted
emergency
use
to
combat
SARS-CoV-2.
Glycyrrhizin
(GR)
and
boswellic
acids
(BAs)
combination
has
shown
highly
successful
actions
against
COVID-19
our
recent
clinical
trial.
However,
study
is
limited
by
small
sample
size,
therefore,
aim
of
this
article
comprehensively
evaluate
evidence
on
efficacy
GR
BAs
preventing
development
patients
with
mild
moderate
post-COVID-19
cognitive
impairment,
which
most
important
symptom
after
recovery
from
Covid-19
disease.
We
reviewed
discussed
information
published
since
outbreak
pandemic
until
July
2022
preclinical
(in
vivo,
vivo
bioinformatics)
studies
related
antiviral,
anti-inflammatory
immunomodulatory
activity
Gr
BAs.
Sixteen
were
performed
determine
Ten
used
primarily
for
vitro
assays
six
molecular
docking
studies.
antiviral
SARS-CoV-2
was
determined
only
five
using
modeling
bioinformatics.
All
these
confirmed
that
n
strong
can
be
as
a
therapeutic
agent
protective
They
may
act
inhibiting
main
protease
(Mpro)
responsible
replication
blocking
spike
protein-mediated
cell
entry.
Only
seven
rigorously
designed
trials
regarding
usefulness
GR,
or
their
combinations
treatment
2022.
Although
there
no
impairment
so
far,
several
demonstrated
potential
effect
prevention
molecules
activate
inflammatory
signaling
pathway.
In
conclusion,
findings
documented
beneficial
treat
its
variants
prevent
post-COVID
impairment.
it
warrants
further
larger
randomized
size
ensure
sufficient
benefits
symptoms.