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.
arXiv (Cornell University),
Journal Year:
2020,
Volume and Issue:
unknown
Published: Jan. 1, 2020
In
the
present
study,
we
have
described
how
by
using
molecular
docking
and
dynamic
(MD)
simulation
studies
combination
drug
of
ivermectin
doxycycline
can
be
used
as
a
potential
inhibitor
for
SARS-CoV-2
virus.
lieu
unavailability
specific
cure
COVID-19
till
now
various
possibilities
individual
drugs
been
explored
medical
practitioners/scientists
remedial
purpose
CoV-2
infections.
$3CL^{pro}$
is
main
protease
virus
which
plays
an
essential
role
in
mediating
viral
replication
human
body.
protein
serve
attractive
target.
this
work,
studied
drug:
interactions
silico
MD
approaches.
Common
easily
available
antiviral
ivermectin,
their
proved
valid
candidature
to
candidates
against
Research Square (Research Square),
Journal Year:
2022,
Volume and Issue:
unknown
Published: June 7, 2022
Abstract
Omicron’s
traces
have
been
found
significantly
faster
than
the
Delta
variant.
Persons
who
already
vaccinated
are
also
affected
by
this
This
shows
that
vaccines
taken
to
combat
COVID-19
less
effective
in
preventing
transmission.
Thus,
identification
of
candidates
fight
against
Omicron
has
top
priority
pharmaceutics.
The
present
study
deals
with
investigation
antiviral
activities
phytocompounds
Aconitum
heterophyllum
systematic
in-silico
done
paper
reveals
good
binding
Isoatisine
spike
glycoprotein
Omicron.
molecule
follows
most
pharmacokinetic
properties
make
it
a
better
drug-like
molecule.
computed
global
reactivity
parameters
fairly
justified
high
aims
discover
novel
activity
counter
protein.
results
can
be
considered
for
experimental
validation
and
clinical
trials.
F1000Research,
Journal Year:
2022,
Volume and Issue:
10, P. 1021 - 1021
Published: Oct. 20, 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.
top
explored
their
anti-Covid19
supplement
products.
This
is
preliminary
which
still
needs
further
research
such
preclinical
clinical
trials.
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.
