Journal of Biomolecular Structure and Dynamics,
Journal Year:
2024,
Volume and Issue:
unknown, P. 1 - 18
Published: Feb. 13, 2024
Heterocyclic
compounds
with
oxazole
and
imidazole
rings
in
their
structure
have
disclosed
momentous
biological
aptitudes.
Taking
into
account
superlative
attributes,
the
present
study
was
designed
to
introduce
a
new
synthetic
scheme
make
derivatives
tremendous
futuristic
pharmacological
potentialities.
Series
of
Oxazolones
were
synthesized
by
using
substituted
benzaldehyde
benzyl
halides
produce
respective
1
(a–d)
which
further
reacted
hippuric
acid
yield
oxazolones
2
(a–e).
Newly
then
4-chloroaniline
corresponding
imidazolones
3
All
characterized
FTIR
NMR
spectroscopic
techniques.
Docking
studies
Compounds
conducted
AutoDock
Vina
analyzed
PYMOL.
oxazolone
imidazolone
exhibited
antioxidant
potential,
demonstrated
IC50
values
compared
ascorbic
standard.
Oxazolone
(2a–2e)
good
acetyl
cholinesterase
inhibitory
potential
whereas
Imidazolone
series
did
not
show
significant
inhibition
as
shown
donepezil
all
against
acetylcholinesterase
favorable
binding
affinity,
indicating
for
in-vivo
studies.
It
is
notable
that
novel
both
maximum
percentage
75.9
(IC50
12.9
±
0.0573
µM/mL)
compound
2d
while
2a
showed
AChE
%age
75.49
7.8
0.0218
µM/mL).
ACS Chemical Neuroscience,
Journal Year:
2024,
Volume and Issue:
15(9), P. 1828 - 1881
Published: April 22, 2024
Neurodegenerative
diseases
(NDs)
are
one
of
the
prominent
health
challenges
facing
contemporary
society,
and
many
efforts
have
been
made
to
overcome
(or)
control
it.
In
this
research
paper,
we
described
a
practical
one-pot
two-step
three-component
reaction
between
3,4-dihydronaphthalen-1(2H)-one
(1),
aryl(or
heteroaryl)glyoxal
monohydrates
(2a–h),
hydrazine
monohydrate
(NH2NH2•H2O)
for
regioselective
preparation
some
3-aryl(or
heteroaryl)-5,6-dihydrobenzo[h]cinnoline
derivatives
(3a–h).
After
synthesis
characterization
mentioned
cinnolines
(3a–h),
in
silico
multi-targeting
inhibitory
properties
these
heterocyclic
scaffolds
investigated
upon
various
Homo
sapiens-type
enzymes,
including
hMAO-A,
hMAO-B,
hAChE,
hBChE,
hBACE-1,
hBACE-2,
hNQO-1,
hNQO-2,
hnNOS,
hiNOS,
hPARP-1,
hPARP-2,
hLRRK-2(G2019S),
hGSK-3β,
hp38α
MAPK,
hJNK-3,
hOGA,
hNMDA
receptor,
hnSMase-2,
hIDO-1,
hCOMT,
hLIMK-1,
hLIMK-2,
hRIPK-1,
hUCH-L1,
hPARK-7,
hDHODH,
which
confirmed
their
functions
roles
neurodegenerative
(NDs),
based
on
molecular
docking
studies,
obtained
results
were
compared
with
wide
range
approved
drugs
well-known
(with
IC50,
EC50,
etc.)
compounds.
addition,
ADMET
prediction
analysis
was
performed
examine
prospective
drug
synthesized
compounds
The
from
studies
ADMET-related
data
demonstrated
that
series
heteroaryl)-5,6-dihydrobenzo[h]cinnolines
especially
hit
ones,
can
really
be
turned
into
potent
core
new
treatment
and/or
due
having
reactionable
locations,
they
able
further
organic
reactions
(such
as
cross-coupling
reactions),
expansion
(for
example,
using
other
types
monohydrates)
makes
avenue
designing
novel
efficient
purpose.
Neurology International,
Journal Year:
2025,
Volume and Issue:
17(2), P. 26 - 26
Published: Feb. 7, 2025
Alzheimer’s
and
Parkinson’s
are
the
most
common
neurodegenerative
diseases
(NDDs).
The
development
of
aberrant
protein
aggregates
progressive
permanent
loss
neurons
major
characteristic
features
these
disorders.
Although
precise
mechanisms
causing
disease
(AD)
(PD)
still
unknown,
there
is
a
wealth
evidence
suggesting
that
misfolded
proteins,
accumulation
dysfunction
neuroreceptors
mitochondria,
dysregulation
enzymes,
release
neurotransmitters
significantly
influence
pathophysiology
diseases.
There
no
effective
protective
medicine
or
therapy
available
even
with
availability
numerous
medications.
an
urgent
need
to
create
new
powerful
bioactive
compounds
since
number
people
NDDs
rising
globally.
Heterocyclic
have
consistently
played
pivotal
role
in
drug
discovery
due
their
exceptional
pharmaceutical
properties.
Many
clinically
approved
drugs,
such
as
galantamine
hydrobromide,
donepezil
hydrochloride,
memantine
opicapone,
feature
heterocyclic
cores.
As
therapeutic
potential,
heterocycles
intriguing
research
topic
for
drugs
PD
AD.
This
review
aims
provide
current
insights
into
potential
use
targeting
diverse
targets
manage
potentially
treat
patients
AD
PD.
Journal of Biomolecular Structure and Dynamics,
Journal Year:
2023,
Volume and Issue:
42(2), P. 848 - 862
Published: April 6, 2023
Parietin
was
isolated
from
Xanthoria
parietina
(L.)
Th.
Fr.'
(methanol:chloroform)
extract,
using
a
silica
column.
13
C
NMR
and
1H
were
used
to
confirm
the
structure
of
parietin.
For
first
time,
parietin
investigated
for
its
antioxidant,
antibacterial
DNA
protective
activities.
Molecular
docking
carried
out
determine
binding
affinity
interactions
between
enzymes
our
molecule.
Inhibition
kinetic
mechanism
studies
action
performed
too.
exhibited
high
metal
chelating
activity.
The
MIC
values
sufficient
inhibit
different
bacterial
strains;
E.
coli,
P.
aeruginosa,
K.
pneumoniae
S.
aureus.
applications
that
acetylcholinesterase
(AChE),
butyrylcholinesterase
(BChE),
lipase,
tyrosinase
have
potential
with
Especially,
parietin's
highest
recorded
AChE
tyrosinase.
These
results
confirmed
by
inhibition
kinetics
results,
where,
observed
potent
an
IC50
0.013-0.003
µM.
Moreover,
acts'
as
non-competitive
inhibitor
against
AChE,
BChE,
competitive
rate
stability.
promising
biological
properties
revealed
effectiveness
in
terms
suitability
food
pharmaceutical
industries.
