Archiv der Pharmazie,
Journal Year:
2024,
Volume and Issue:
358(1)
Published: Dec. 25, 2024
Abstract
New
derivatives
6a–m
with
benzimidazole–indole–amide
scaffold
were
developed,
synthesized,
and
assessed
for
potential
inhibitory
effects
on
α‐glucosidase
acetylcholinesterase
(AChE).
These
compounds
synthesized
by
various
amine
derivatives.
With
the
exception
of
two
compounds,
activities
title
more
than
that
positive
control
acarbose.
Moreover,
anti‐AChE
activity
these
one
compound,
was
better
tacrine
(standard
inhibitor).
The
most
potent
compound
against
3‐methylphenyl
derivative
6i
AChE
3,4‐dimethoxyphenethyl
6m
.
All
placed
in
active
sites
silico
docking
method
obtained
binding
energies
approximately
agreement
vitro
observed
data.
Interaction
modes
demonstrated
interacted
important
residues
their
target
enzymes.
Molecular
dynamics
simulation
conducted
specifically
complex
to
obtain
deeper
insights
into
behavior
this
molecule.
Furthermore,
pharmacokinetic
toxicity
studies
predicted
have
good
profiles
terms
oral
absorption
toxicity.
Results in Chemistry,
Journal Year:
2024,
Volume and Issue:
8, P. 101556 - 101556
Published: May 24, 2024
Hybrid
molecules
based
on
the
1,3,4-thiadiazole
were
always
choice
of
different
researchers
due
to
their
significant
application
in
medicinal
as
well
pharmaceutical
application.
In
present
study,
twenty
analogs
1,3,4-thiadiazole-bearing
thiosemicarbazide
moiety
(1–20)
synthesized
and
screened
for
anti-diabetic
profile.
The
compounds
spectroscopically
characterized
through
spectroscopic
techniques
such
1HNMR,
13CNMR,
HREI-MS.
Comparing
whole
set
afforded
standard
glimepiride
drugs
(16.01
±
0.02
μM),
inhibition
profiles
against
α-amylase
ranged
from
21.02
0.08
54.08
0.04
μM.
synthetic
normal
(IC50
=
14.06
0.05
range
α-glucosidase
activity
was
likewise
variable,
ranging
18.04
0.07
μM
IC50
51.05
0.03
(against
α-glucosidase).
Compound
19
demonstrated
high
potency
among
produced
since
it
had
both
ortho-nitro
substitution
at
aryl
ring.
pattern
substitutions
around
ring
used
all
determine
structure–activity
relationship.
addition,
a
molecular
docking
study
conducted
potent
examine
interactions
between
active
residues
targeted
enzymes
with
compound.
molecule
showed
types
amino
acid.
outcome
demonstrates
that
these
provide
several
essential
sites
enzymes,
hence
strengthening
enzymatic
future
prediction
drug
competitors.
Frontiers in Chemistry,
Journal Year:
2024,
Volume and Issue:
12
Published: June 3, 2024
Tyrosinase
is
one
important
rate
limiting
enzyme
in
melanin
synthesis,
directly
affecting
the
synthesis.
Quercetagetin
active
ingredient
from
marigold.
Thence,
inhibition
effects
of
quercetagetin
against
tyrosinase
were
investigated.
The
results
showed
could
inhibit
activity
with
IC
50
value
0.19
±
0.01
mM
and
type
was
a
reversible
mixed-type.
Results
fluorescence
quenching
quench
static
process.
CD
3D
interaction
to
change
conformation
activity.
Moreover,
docking
revealed
details
quercetagetin’s
interactions
tyrosinase.
