Synthetic Communications,
Год журнала:
2024,
Номер
54(23), С. 2052 - 2063
Опубликована: Окт. 24, 2024
Herein,
we
designed
a
series
of
guanidinobenzoic
acid
ester
derivatives
on
the
basis
approved
AP
drugs,
such
as
nafamostat,
gabexate
and
camostat,
evaluated
their
inhibitory
effects
trypsin
anti-inflammatory
activity.
Among
them,
five
compounds
(6a,
6c–6e,
7j)
showed
excellent
with
IC50
values
0.0756
μM
to
0.1227
μM,
which
are
more
potent
than
nafamostat
gabexate.
Moreover,
6a,
6b
6c
also
significant
potency
against
pro-inflammatory
molecule
NO
1.618
2.276
3.022
respectively.
Consequently,
potential
lead
simultaneously
anti-trypsin
activities
were
identified,
would
profit
further
structural
optimization
for
treatment
AP.
Abstract
In
pursuit
of
developing
novel
cholinesterase
(ChE)
inhibitors
through
molecular
hybridization
theory,
a
series
isoindolin-1,3-dione-based
acetohydrazides
(compounds
8a
–
h
)
was
designed,
synthesized,
and
evaluated
as
possible
acetylcholinesterase
(AChE)
butyrylcholinesterase
(BChE)
inhibitors.
vitro
results
revealed
IC
50
values
ranging
from
0.11
±
0.05
to
0.86
0.02
µM
against
AChE
5.7
0.2
30.2
2.8
BChE.
A
kinetic
study
conducted
on
the
most
potent
compound,
,
ascertain
its
mode
inhibition,
revealing
competitive
AChE.
Furthermore,
binding
interaction
modes
active
compound
within
site
elucidated.
Molecular
dynamics
simulations
were
performed
assess
stability
-AChE
complex.
silico
pharmacokinetic
predictions
for
compounds
indicated
their
potential
promising
lead
structure
development
new
anti-Alzheimer’s
disease
(anti-AD)
agents.
European Journal of Medicinal Chemistry Reports,
Год журнала:
2024,
Номер
12, С. 100183 - 100183
Опубликована: Июнь 27, 2024
The
present
study
focuses
on
research
findings
related
to
the
development
and
assessment
of
thiadiazole-linked
thiazole
derivatives
as
promising
anti-tubercular
agents.
We
synthesis
data
eleven
new
compounds
(4a-4k)
confirm
their
structures
using
spectroscopic
techniques.
Subsequently,
were
screened
for
anti-tuberculosis
activities
against
M.
tuberculosis
H37Ra.
results
demonstrated
that
3
4b
exhibited
minimum
inhibitory
concentration
(MIC)
3.90
μg/mL
7.81
μg/mL,
respectively.
In-vitro,
studies
few
high
antioxidant
activity
DPPH
OH
radical
scavengers
along
with
minimal
no
cytotoxicity
RBCs
which
is
a
result.
Investigation
molecular
docked
conformations
revealed
different
interactions
such
hydrogen
bonds,
halogen
involving
Pi
electron
cloud.
sheds
light
conserved
residues
like
Met131,
Val163,
His90
Gln161
from
tubercular
MCAT
enzyme.
Interestingly,
synthetic
chemistry
reveals
employment
tetra-n-butylammonium
bromide
(TBAB)
plays
crucial
role
N-butylation
it
also
expedites
reaction
in
tetrahydrofuran
solvent.
RSC Medicinal Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Янв. 1, 2025
Donepezil-based
rational
design
of
N
-substituted
quinazoline
tethered
thioacetamide
as
potential
acetylcholine
esterase
inhibitors
for
the
treatment
Alzheimer's
disease.
RSC Advances,
Год журнала:
2025,
Номер
15(14), С. 10671 - 10690
Опубликована: Янв. 1, 2025
Ochroisa
elliptica
revealed
41
compounds
using
UPLC-MS/MS
and
assessed
their
binding
affinities
to
cholinesterase
enzymes
through
molecular
docking.
A
quercetin
derivative
exhibited
the
strongest
binding.
Additionally,
dynamic
simulations
confirmed
stable
interactions.
