Molecules,
Journal Year:
2022,
Volume and Issue:
27(23), P. 8353 - 8353
Published: Nov. 30, 2022
A-type
proanthocyanidins
(PAC-As)
are
plant-derived
natural
polyphenols
that
occur
as
oligomers
or
polymers
of
flavan-3-ol
monomers,
such
(+)-catechin
and
(−)-epicatechin,
connected
through
an
unusual
double
A
linkage.
PAC-As
present
in
leaves,
seeds,
flowers,
bark,
fruits
many
plants,
thought
to
exert
protective
roles
against
microbial
pathogens,
insects,
herbivores.
Consequently,
when
tested
isolation,
have
shown
several
biological
effects,
antioxidant,
antibacterial,
immunomodulatory,
antiviral
activities.
been
observed
fact
inhibit
replication
different
human
viruses,
both
enveloped
non-enveloped
DNA
RNA
viruses
proved
sensible
their
inhibitory
effect.
Mechanistic
studies
revealed
cause
reduction
infectivity
viral
particles
they
come
contact
with,
a
result
propensity
interact
with
virion
surface
capsid
proteins
envelope
glycoproteins
essential
for
attachment
entry.
As
infections
new
virus
outbreaks
major
public
health
concern,
development
effective
Broad-Spectrum
Antiviral
Agents
(BSAAs)
can
be
rapidly
deployable
even
future
emerging
is
urgent
priority.
This
review
summarizes
the
activities
mechanism
action
PAC-As,
potential
deployed
BSAAs
infections.
Scientific Reports,
Journal Year:
2024,
Volume and Issue:
14(1)
Published: Feb. 13, 2024
Abstract
COVID-19
appeared
as
a
highly
contagious
disease
after
its
outbreak
in
December
2019
by
the
virus,
named
SARS-CoV-2.
The
threat,
which
originated
Wuhan,
China,
swiftly
became
an
international
emergency.
Among
different
genomic
products,
spike
protein
of
virus
plays
crucial
role
initiation
infection
binding
to
human
lung
cells,
therefore,
SARS-CoV-2’s
is
promising
therapeutic
target.
Using
combination
structure-based
virtual
screening
and
biochemical
assay,
this
study
seeks
possible
candidates
that
specifically
target
viral
protein.
A
database
~
850
naturally
derived
compounds
was
screened
against
SARS-CoV-2
find
natural
inhibitors.
inhibitory
experiments,
we
identified
acetyl
11-keto-boswellic
acid
(AKBA)
molecule
for
protein,
encouraged
us
scan
rest
AKBA
derivatives
our
in-house
via
2D-similarity
searching.
Later
19
with
>
85%
similarity
were
selected
docked
receptor
domain
(RBD)
Those
hits
declared
significant
interactions
at
RBD
interface,
best
possess
excellent
drug-likeness
pharmacokinetics
properties
high
gastrointestinal
absorption
(GIA)
without
toxicity
allergenicity.
Our
in-silico
observations
eventually
validated
vitro
bioassay,
interestingly,
10
(A3,
A4,
C3,
C6A,
C6B,
C6C,
C6E,
C6H,
C6I,
C6J)
displayed
ability
good
percent
inhibition
(range:
72–90).
C3
(90.00%),
C6E
(91.00%),
C6C
(87.20%),
C6D
(86.23%)
demonstrated
anti-SARS
CoV-2
activities.
docking
interaction
inhibitor
confirmed
MD
Simulation.
In
molecular
dynamics
simulation,
observed
stable
complexes
influence
on
protein’s
conformational
arrangements.
free
energy
ΔG
TOTAL
(−38.0
±
0.08
kcal/mol)
(−41.98
respectively
indicate
strong
affinity
Spike
active
pocket.
These
findings
demonstrate
these
molecules
particularly
inhibit
function
and,
therefore
have
potential
be
evaluated
drug
Journal of Traditional and Complementary Medicine,
Journal Year:
2022,
Volume and Issue:
12(1), P. 1 - 5
Published: Jan. 1, 2022
COVID-19,
the
infectious
disease
caused
by
beta-corona
virus
SARS-CoV2,
has
posed
a
global
health
threat
causing
more
than
five
million
of
deaths
in
last
two
years
world.
Although
often
presents
with
mild
cold-like
symptoms,
it
may
have
lethal
consequences
following
thromboembolisms,
hyperinflammation
and
cytokine
storm
eventually
leading
to
pulmonary
fibrosis
multiple
organ
failure.
Despite
progress
made
understanding
SARS-CoV2
pathology
clinical
management
viral
illness
is
still
concern
since
outbreaks
continue
resurge
due
emergence
mutant
variants
that
resist
vaccines.
Therefore,
there
an
urgent
need
for
therapeutics
can
block
transmission
progression
from
infection
severe
symptomatic
illness.
Natural
products
could
be
valuable
source
drugs
COVID-19
disease,
particularly
because
they
act
on
multitargets
through
different
mechanisms
including
inhibition
biochemical
pathways,
epigenetic
regulation
gene
expression,
modulation
immune
response,
pathophysiological
stress
response.
Here
we
present
overview
natural
possess
antiviral
activity
potential
benefit
COVID-19.
Molecules,
Journal Year:
2022,
Volume and Issue:
27(23), P. 8353 - 8353
Published: Nov. 30, 2022
A-type
proanthocyanidins
(PAC-As)
are
plant-derived
natural
polyphenols
that
occur
as
oligomers
or
polymers
of
flavan-3-ol
monomers,
such
(+)-catechin
and
(−)-epicatechin,
connected
through
an
unusual
double
A
linkage.
PAC-As
present
in
leaves,
seeds,
flowers,
bark,
fruits
many
plants,
thought
to
exert
protective
roles
against
microbial
pathogens,
insects,
herbivores.
Consequently,
when
tested
isolation,
have
shown
several
biological
effects,
antioxidant,
antibacterial,
immunomodulatory,
antiviral
activities.
been
observed
fact
inhibit
replication
different
human
viruses,
both
enveloped
non-enveloped
DNA
RNA
viruses
proved
sensible
their
inhibitory
effect.
Mechanistic
studies
revealed
cause
reduction
infectivity
viral
particles
they
come
contact
with,
a
result
propensity
interact
with
virion
surface
capsid
proteins
envelope
glycoproteins
essential
for
attachment
entry.
As
infections
new
virus
outbreaks
major
public
health
concern,
development
effective
Broad-Spectrum
Antiviral
Agents
(BSAAs)
can
be
rapidly
deployable
even
future
emerging
is
urgent
priority.
This
review
summarizes
the
activities
mechanism
action
PAC-As,
potential
deployed
BSAAs
infections.
