Current Neuropharmacology,
Год журнала:
2024,
Номер
23(3), С. 317 - 328
Опубликована: Май 6, 2024
Alzheimer's
disease
(AD)
is
a
neurodegenerative
condition
that
affects
the
elder
population
and
linked
to
behavioral
instability
cognitive
decline.
Only
few
drugs
are
approved
for
clinical
management
of
AD.
Volatile
oils
their
components
exhibit
diverse
pharmacological
potentials,
including
neuroprotective
properties.
The
current
study
aimed
evaluate
isoeugenol's
potentials
against
impairments
caused
by
scopolamine.
Standard
protocols
were
followed
in
In-vitro
antioxidant,
cholinesterase
inhibitory
molecular
docking
assays.
Isoeugenol
was
initially
evaluated
antioxidant
potential
using
DPPH
ABTS
free
radicals
scavenging
Subsequently,
AChE/BChE
inhibition
studies
performed
following
Ellman's
assay.
To
assess
compound's
binding
effectiveness
at
enzymes'
target
site,
it
docked
sites
cholinesterase.
effect
isoeugenol
supplementation
on
scopolamine-induced
amnesia
assessed
Shallow
Water
Maze
(SWM),
Y-Maze
Elevated
Plus
(EPM)
tests.
In
assays,
exhibited
considerable
efficacy
with
IC50
38.97
43.76
μg/mL,
respectively.
revealed
78.39
±
0.40%
67.73
0.03%
inhibitions
AChE
BChE,
respectively,
1
mg/ml
concentration.
studies,
score
-12.2390,
forming
two
hydrogen
bonds
active
site
residues
AChE.
Further,
-10.1632,
binds
adequately
BChE
enzyme
via
arene-hydrogen
interactions
one
bond.
offered
protection
memory
deficits
improved
special
rodents.
RSC Advances,
Год журнала:
2024,
Номер
14(48), С. 35400 - 35423
Опубликована: Янв. 1, 2024
The
study
of
quinoxalines
as
nitrogen-rich
heterocyclic
compounds
has
garnered
substantial
interest
within
scientific
research
owing
to
their
multidimensional
functionalization
capabilities
and
significant
biological
activities.
scope
encompasses
application
potent
antiviral
agents,
particularly
the
domain
respiratory
pathologies-a
topic
pivotal
concern
in
this
comprehensive
review.
They
have
several
prominent
pharmacological
effects,
such
potential
influenza
inhibitors,
anti-SARS
coronavirus
anti-SARS-CO-2
miscellaneous
As
a
result,
some
literature
described
many
these
using
various
synthetic
methods
for
mentioned
effects.
In
present
review,
we
provided
insight
into
quinoxaline
synthesis,
structure-activity
relationship
(SAR),
activities,
along
with
compilation
recent
studies.
article
further
encapsulates
gamut
past
ongoing
efforts
design
exploration
scaffolds,
pronounced
emphasis
on
strategic
deployment
against
viral
pandemics,
contextualized
tapestry
COVID-19
outbreak.
This
illuminates
quintessential
role
armamentarium
pathogens
provides
platform
development
next-generation
agents.
Bioengineering,
Год журнала:
2023,
Номер
10(8), С. 961 - 961
Опубликована: Авг. 14, 2023
SARS-CoV-2
exploits
the
homotrimer
transmembrane
Spike
glycoproteins
(S
protein)
during
host
cell
invasion.
The
Omicron
XBB
subvariant,
delta,
and
prototype
receptor-binding
domain
show
similar
binding
strength
to
hACE2
(human
Angiotensin-Converting
Enzyme
2).
Here
we
utilized
multiligand
virtual
screening
identify
small
molecule
inhibitors
for
their
efficacy
against
virus
using
QPLD,
pseudovirus
ACE2
Inhibition
-Time
Resolved
Forster/Fluorescence
energy
transfer
(TR-FRET)
Assay
Screening,
Molecular
Dynamics
simulations
(MDS).
Three
hundred
fifty
thousand
compounds
were
screened
macrodomain
of
nonstructural
protein
3
SARS-CoV-2.
Using
TR-FRET
Assay,
filtered
out
two
10
that
had
no
reported
activity
in
vitro
screen
S1:
assay.
percentage
inhibition
at
30
µM
was
found
be
79%
“Compound
F1877-0839”
69%
F0470-0003”.
This
first
its
kind
study
identified
“FILLY”
pocket
macrodomains.
Our
200
ns
MDS
revealed
stable
poses
both
leads.
They
can
used
further
development
preclinical
candidates.
Current Computer - Aided Drug Design,
Год журнала:
2023,
Номер
20(7), С. 1113 - 1129
Опубликована: Окт. 19, 2023
In
China,
Niuxi-Mugua
formula
(NMF)
has
been
widely
used
to
prevent
and
treat
coronavirus
disease
2019
(COVID-19).
However,
the
mechanism
of
NMF
for
treating
COVID-19
is
not
yet
fully
understood.
