The
author
prepared
and
evaluated
a
series
of
new
5-(9-benzyl-1-methyl-9H-pyrido
[3,4-b]
indol-3-yl)-1,3,4oxadiazol-2-amine
(4a-b).1H
NMR,
IR,
mass
spectral
data
were
used
to
evaluate
the
structures
synthesized
compounds.Besides
in
silico
molecular
docking,
which
has
been
done
on
these
newly
compounds
active
pocket
Protein
kinase
inhibition
by
staurosporine
PDB:1aq1
complex,
it
shows
good
binding
interaction
enzyme.The
ADME
cytotoxicity
properties
suggest
that
this
compound
is
best
for
further
studies.
ChemistrySelect,
Journal Year:
2025,
Volume and Issue:
10(15)
Published: April 1, 2025
Abstract
The
highly
increased
and
global
mortality
due
to
cancer
has
created
an
urgent
need
discover
promising
targets
for
its
treatment.
Where
drug
repurposing
was
considered
as
attractive
approach
that
can
facilitate
the
lead
generation
optimization
phases
of
discovery
by
existing
agents
target
diseases
other
than
their
primary
uses.
Cheminformatics
studies
represented
in
molecular
docking
well
dynamic
simulation
salicylic
acid
/
aspirin
analogues
sulindac
indomethacin
anti‐inflammatory
drugs
were
carried
out
be
used
cyclin‐dependent
kinases
(CDKs)
namely
CDK2,
CDK6,
CDK12
inhibitors.
Sulindac
displayed
best
binding
ligand
all
receptors.
CDKs
inhibition
effects
three
sulindac,
anthranilic
demonstrated
good
inhibitory
activity
against
ranging
from
0.48
1.78
µM.
Likewise,
cytotoxicity
revealed
potent
anticancer
0.155
1.278
µM
cell
lines:
HCT‐116,
MCF‐7,
HeLa
cells.
As
a
result,
this
technique
saves
lot
time
money
order
new
agents.
World Journal of Clinical Oncology,
Journal Year:
2025,
Volume and Issue:
16(3)
Published: Jan. 20, 2025
Based
on
the
discovery
that
human
β-defensin-1
(hBD-1)
triggers
autophagy
in
colon
cancer
cells
and
inhibits
proliferation,
we
proposed
consideration
of
its
druggability.
As
a
protein,
stability,
targetability
bioavailability
must
be
improved.
Compared
with
traditional
medicinal
chemistry
technology,
nanotechnology
is
more
economical
for
increasing
druggability
hBD-1
can
readily
scaled
up.
Here,
propose
an
immunoliposome
system
containing
to
improve
stability
bioavailability.
To
enhance
targetability,
anti-epidermal
growth
factor
receptor
(EGFR)
antibodies
were
conjugated
liposomal
bilayer
produce
immunoliposomes
target
EGFR,
which
highly
expressed
cells.
Although
studies
are
needed
support
clinical
trials
large-scale
manufacturing,
these
have
great
potential
as
therapeutics.
Thus,
suitable
nanovesicles
hBD-1;
however,
additional
basic
translational
research
systems
warranted.
Journal of Biochemical and Molecular Toxicology,
Journal Year:
2025,
Volume and Issue:
39(4)
Published: April 1, 2025
ABSTRACT
An
efficient
one‐pot
method
has
been
developed
for
synthesizing
novel
isoindolinone
derivatives
from
2‐benzoylbenzoic
acid
using
chlorosulfonyl
isocyanate
and
alcohols.
This
reaction
occurs
under
mild,
metal‐free
conditions,
rendering
it
a
sustainable
effective
approach
synthesis.
The
inhibitory
potential
of
the
synthesized
compounds
against
human
carbonic
anhydrase
(hCA)
I
II
isozymes
was
evaluated
compared
with
standard
inhibitor,
acetazolamide
(AAZ).
Additionally,
their
antimicrobial
antioxidant
activities
were
assessed
various
bioanalytical
methods,
results
benchmarked
reference
compounds.
Furthermore,
cytotoxicity
anticancer
activity
investigated
in
L929
A549
cell
lines
via
WST‐1
assay
following
24
h
exposure.
Among
derivatives,
2c
2f
exhibited
superior
effects
on
hCA
to
AAZ,
Ki
values
ranging
11.48
±
4.18
16.09
4.14
nM
9.32
2.35
14.87
3.25
II.
These
findings
indicate
that
have
high
affinity
enzyme's
active
site,
resulting
more
inhibition
its
catalytic
activity.
Compound
2e
emerged
as
most
promising
candidate,
demonstrating
potent
significant
properties.
None
displayed
cytotoxic
healthy
cells
at
tested
concentrations.
compound
2a
dose‐dependent
cells.
suggest
particularly
,
hold
substantial
further
pharmaceutical
development
multifunctional
bioactive
agents.
Chemical Biology & Drug Design,
Journal Year:
2024,
Volume and Issue:
104(6)
Published: Nov. 30, 2024
ABSTRACT
In
this
study,
we
propose
identifying
potential
novel
compounds
targeting
carbonic
anhydrase
I
and
II.
Herein,
have
designed
synthesized
new
benzimidazole‐hydrazide‐hydrazones
derivatives
(
4a‐4r
)
to
investigate
the
effects
of
these
on
CA
isoenzymes.
The
compounds'
1
H
NMR,
13
C
HRMS
spectra
were
used
confirm
their
chemical
structures.
synthetic
screened
for
inhibitory
against
II
by
in
vitro
assay.
These
IC
50
values
3.727–1.493
μM
(hCA
I)
3.892–1.547
II).
Inhibition
types
K
i
determined.
3.006
±
0.17
μM‐0.356
0.0
2.923
0.15
μM‐0.346
Acetazolamide
(AAZ)
was
as
reference
study.
most
potent
derivatives,
a
4‐methoxy
derivative
(compound
4k
4‐(trifluoromethyl)
4g
),
than
AAZ
(IC
=
2.26
μM)
found
1.493
1.675
μM,
respectively.
Compared
AAZ,
other
having
more
effect
hCA
4b
,
4e
4l
4m
4n
4o
.
gave
1.743,
1.789,
1.933,
1.966,
1.983,
1.986
Compounds
no
effective
activity
isozyme
1.17
μM).
According
test
results,
detailed
protein‐ligand
interactions
exhibited
considerably
low
binding
energies,
suggesting
strong
interaction
affinities
I.
addition,
cytotoxic
L929
healthy
cell
line
evaluated.
