Research Square (Research Square),
Journal Year:
2021,
Volume and Issue:
unknown
Published: June 21, 2021
Abstract
The
virus
SARS-CoV-2
has
created
a
situation
of
global
emergency
all
over
the
world
from
last
few
months.
We
are
witnessing
helpless
due
to
COVID-19
as
no
vaccine
or
drug
is
effective
against
disease.
In
present
study,
we
have
tested
repurposing
efficacy
some
currently
used
combination
drugs
COVID-19.
tried
understand
mechanism
action
repurposed
drugs:Favipiravir
(F),
Hydroxychloroquine
(H)
and
Oseltamivir
(O).
ADME
analysis
suggested
strong
inhibitory
possibility
F,
H,
O
towards
receptor
protein
3CL
pro
virus.
binding
affinity,
number
hydrogen
bond
interaction
between
inhibitor,
lower
inhibition
constant
computed
molecular
docking
validated
better
complexation
F
+
H
O:3CL
combination.
Various
thermodynamical
output
Molecular
dynamics
(MD)
simulations
like
potential
energy
(E
g
),
temperature
(T),
density,
pressure,
SASA
energy,
energies,
Gibbs
free
(ΔG
bind
)
etc.,
also
favored
CoV-2
protease.
Our
in-silico
results
recommended
candidature
Favipiravir,
lead
inhibitor
for
targeting
infections.
Molecules,
Journal Year:
2023,
Volume and Issue:
28(12), P. 4860 - 4860
Published: June 20, 2023
The
ongoing
COVID-19
pandemic
has
resulted
in
a
global
panic
because
of
its
continual
evolution
and
recurring
spikes.
This
serious
malignancy
is
caused
by
the
severe
acute
respiratory
syndrome
coronavirus
2
(SARS-CoV-2).
Since
outbreak,
millions
people
have
been
affected
from
December
2019
till
now,
which
led
to
great
surge
finding
treatments.
Despite
trying
handle
with
repurposing
some
drugs,
such
as
chloroquine,
hydroxychloroquine,
remdesivir,
lopinavir,
ivermectin,
etc.,
against
COVID-19,
SARS-CoV-2
virus
continues
out-of-control
spread.
There
dire
need
identify
new
regimen
natural
products
combat
deadly
viral
disease.
article
deals
literature
reports
date
showing
inhibitory
activity
towards
through
different
approaches,
vivo,
vitro,
silico
studies.
Natural
compounds
targeting
proteins
SARS-CoV-2-the
main
protease
(M
Heliyon,
Journal Year:
2022,
Volume and Issue:
8(12), P. e12327 - e12327
Published: Dec. 1, 2022
In
the
present
study,
we
have
done
a
comparative
study
on
efficacy
of
some
currently
used
repurposed
drugs:
Oseltamivir
(O),
Favipiravir
(F)
and
Hydroxychloroquine
(H)
in
individual
their
combinational
mode
against
CoV-2
infections.
The
ADME
analysis
has
helped
us
to
identify
inhibitory
possibility
tested
drugs
towards
receptor
3CL
Drug repurposing,
Journal Year:
2024,
Volume and Issue:
1(1)
Published: July 3, 2024
Background
The
development
and
rollout
of
vaccines
the
use
various
drugs
have
contributed
to
controlling
coronavirus
disease
2019
(Covid-19)
pandemic.
Nevertheless,
challenges
such
as
inequitable
distribution
vaccines,
influence
emerging
viral
lineages
immunoevasive
variants
on
vaccine
efficacy,
inadequate
immune
defense
in
subgroups
population
continue
motivate
new
combat
disease.
Aim
In
this
study,
we
sought
identify,
prioritize,
characterize
drug
repurposing
candidates
appropriate
for
treating
mild,
moderate,
or
severe
Covid-19
using
a
network-based
integrative
approach
that
systematically
integrates
drug-related
data
multi-omics
datasets.
Methods
We
leveraged
used
random
walk
with
restart
algorithm
explore
an
integrated
knowledge
graph
comprising
three
subgraphs:
(i)
graph,
(ii)
(iii)
state-specific
omics
graph.
Results
prioritized
20
US
Food
Drug
Administration-approved
agents
potential
candidate
phases.
Specifically,
could
stimulate
cell
recruitment
activation
including
histamine,
curcumin,
paclitaxel
utility
mild
states
mitigate
progression.
Drugs
like
omacetaxine,
crizotinib,
vorinostat
exhibit
antiviral
properties
inhibit
replication
can
be
considered
moderate
states.
Also,
given
association
between
antioxidant
deficiency
high
inflammatory
factors
trigger
cytokine
storms,
antioxidants
glutathione
potent
anti-inflammatory
effects
(sarilumab
tocilizumab),
corticosteroids
(dexamethasone
hydrocortisone),
immunosuppressives
(sirolimus
cyclosporine)
are
hyperinflammatory
cascade
Covid-19.
Conclusion
Our
study
demonstrates
data-driven
analysis
within
enables
prioritizing
phases,
offering
comprehensive
basis
therapeutic
strategies
brought
market
quickly
their
established
safety
profiles.
Importantly,
implemented
here
prioritize
other
diseases.
Frontiers in Cardiovascular Medicine,
Journal Year:
2022,
Volume and Issue:
9
Published: Oct. 14, 2022
Since
early
2020,
SARS-CoV-2-induced
infection
resulted
in
global
pandemics
with
high
morbidity,
especially
the
adult
population.
COVID-19
is
a
highly
prothrombotic
condition
associated
subsequent
multiorgan
failure
and
lethal
outcomes.
The
exact
mechanism
of
state
not
well
understood
might
be
multifactorial.
Nevertheless,
platelets
are
attributed
to
play
crucial
role
COVID-19-associated
thrombosis.
To
date,
platelets'
was
defined
primarily
thrombosis
homeostasis.
Currently,
more
focus
has
been
set
on
their
part
inflammation
immunity.
Moreover,
ability
release
various
soluble
factors
under
activation
as
internalize
degrade
specific
pathogens
addressed
viral
research.
This
review
article
will
discuss
platelet
cholinergic
anti-inflammatory
pathway.
Multiple
studies
confirmed
that
display
hyperactivated
phenotype
patients.
Critically
ill
patients
demonstrate
increased
markers
such
P-selectin,
PF4,
or
serotonin.
In
addition,
contain
acetylcholine
express
α7
nicotinic
receptors
(α7nAchR).
Thus,
can
released
activation,
α7nAchR
stimulated
an
autocrine
manner
support
function.
receptor
one
most
important
mediators
properties
it
humoral
intrinsic
immunity
demonstrated
contribute
better
outcomes
when
stimulation.
Hematopoietic
deficiency
increases
and,
experimental
studies,
stimulation
diminish
pro-inflammatory
modulate
reactiveness
via
levels
NO.
NO
described
inhibit
adhesion,
aggregation.
decrease
aggregation
possibly
by
blocking
e
p-38
SARS-CoV-2
proteins
have
found
similar
neurotoxins
which
bind
nAChR
prevent
action
acetylcholine.
Concluding,
thrombotic
events
could
explained
active
function
F1000Research,
Journal Year:
2022,
Volume and Issue:
10, P. 1021 - 1021
Published: Feb. 14, 2022
Background:
Pinang
yaki
has
bioactive
compounds
that
have
potential
as
a
new
herbal
supplement.
A
better
understanding
of
the
pinang
using
untargeted
metabolomic
profiling
studies
will
provide
clearer
insight
into
health
benefits
and
in
particular
its
for
therapy
prevention
Covid-19.
Methods:
Fresh
samples
(Areca
vestiaria)
are
obtained
from
forests
North
Sulawesi
Province,
Indonesia.
Samples
were
used
metabolomics
analysis
by
UPLC-MS.
Results:
Based
on
an
study
yaki,
2504
ESI-
2645
ESI+
successfully
obtained.
After
analysis,
356
543
identified
successfully.
Major
Alpha-Chlorohydrin
(PubChem
ID:
7290)
Tagatose
439312)
found
ESI-.
Discussion:
The
Top
10
metabolites
extract
(ESI+)
juga
been
indicated
preventing
SARS
Cov2
infection
exhibited
good
neuroprotective
immunity.
Benzothiazole
7222),
L-isoleucine
6306),
D-glucono-delta-lactone
736),
Diethylpyrocarbonate
3051),
Bis(2-Ethylhexyl)
amine
7791),
Cinnamic
acid
444539),
Trigonelline
5570)
also
had
effects
antiviral,
anti-inflammatory,
anti-Covid19.Conclusion:
Untargeted
showed
many
contained
extract.
The
top
explored
their
anti-Covid19
supplement
products.
This
is
preliminary
which
still
needs
further
research
such
preclinical
clinical
trials.
Background:
The
development
and
roll-out
of
vaccines,
the
use
various
drugs
have
contributed
to
controlling
COVID-19
pandemic.
Nevertheless,
challenges
such
as
inequitable
distribution
influence
emerging
viral
lineages
immune
evasive
variants
on
vaccine
efficacy,
inadequate
defense
in
subgroups
population
continue
motivate
new
combat
disease.
Aim:
In
this
study,
we
sought
identify,
prioritize,
characterize
drug
repurposing
candidates
appropriate
for
treating
mild,
moderate,
or
severe
using
a
network-based
integrative
approach
that
systematically
integrates
drug-related
data
multi-omics
datasets.
Methods
:
We
leveraged
data,
used
random
walk
restart
algorithm
explore
an
integrated
knowledge
graph
comprised
three
sub-graphs:
(i)
graph,
(ii)
(iii)
disease-state
specific
omics
graph.
Results:
prioritized
twenty
FDA-approved
agents
potential
candidate
disease
phases.
Specifically,
could
stimulate
cell
recruitment
activation
including
histamine,
curcumin,
paclitaxel
utility
mild
states
mitigate
progression.
Drugs
like
omacetaxine,
crizotinib,
vorinostat
exhibit
antiviral
properties
inhibit
replication
can
be
considered
moderate
states.
Also,
given
association
between
antioxidant
deficiency
high
inflammatory
factors
trigger
cytokine
storms,
antioxidants
glutathione
potent
anti-inflammatory
effects
(sarilumab
tocilizumab),
corticosteroids
(dexamethasone
hydrocortisone),
immunosuppressives
(sirolimus
cyclosporine)
are
hyperinflammatory
cascade
COVID-19.
Conclusion:
Our
study
demonstrates
data-driven
analysis
within
enables
prioritizing
phases,
offering
comprehensive
basis
therapeutic
strategies
brought
market
quickly
their
established
safety
profiles.
Importantly,
implemented
here
prioritize
other
diseases.
Research Square (Research Square),
Journal Year:
2021,
Volume and Issue:
unknown
Published: Aug. 5, 2021
Abstract
In
the
present
study,
we
have
described
how
by
using
molecular
docking
and
dynamics
(MD)
simulation
studies
combination
drug
of
ivermectin
doxycycline
can
be
used
as
a
potential
inhibitor
for
Severe
Acute
Respiratory
Syndrome
Coronavirus
(SARS-CoV)
virus.
lieu
unavailability
specific
cure
coronavirus
disease
2019
(COVID-19)
till
now
various
possibilities
individual
drugs
been
explored
medical
practitioners/scientists
remedial
purpose
CoV-2
infections.
3C-like
protease
(3CL
pro
)
is
main
SARS-CoV-2
virus
which
plays
an
essential
role
in
mediating
viral
replication
human
body.
3CL
protein
serve
attractive
target.
this
work,
studied
drug:
interactions
in-silico
MD
approaches.
Common
easily
available
antiviral
ivermectin,
their
regulate
protein's
function
due
to
its
easy
inhibition.
