Molecules,
Journal Year:
2022,
Volume and Issue:
27(17), P. 5571 - 5571
Published: Aug. 30, 2022
Bone
morphogenetic
proteins
(BMPs)
are
growth
factors
that
have
a
vital
role
in
the
production
of
bone,
cartilage,
ligaments,
and
tendons.
Tumors'
upregulation
bone
their
receptors
key
features
cancer
progression.
Regulation
BMP
kinase
system
is
new
promising
strategy
for
development
anti-cancer
drugs.
In
this
work,
based
on
careful
literature
study,
library
benzothiophene
benzofuran
derivatives
was
subjected
to
different
computational
techniques
study
effect
chemical
structure
changes
ability
these
two
scaffolds
target
BMP-2
inducible
kinase,
reach
candidates
with
proposed
activity
against
kinase.
The
results
screening
Lipinski's
Veber's
Rules
produced
twenty-one
outside
eighty-four
compounds
having
drug-like
molecular
nature.
Computational
ADMET
studies
favored
ten
(11,
26,
27,
29,
30,
31,
34,
35,
65,
72)
good
pharmacokinetic
profile.
toxicity
excluded
compound
34
elect
nine
docking
which
displayed
eight
(26,
as
inhibitors.
fascinating
will
be
extensive
serine/threonine
kinases
explore
potential
critical
proteins.
These
deserve
further
clinical
investigation
inhibitors
treatment
cancer.
Biocell,
Journal Year:
2023,
Volume and Issue:
47(4), P. 707 - 729
Published: Jan. 1, 2023
Cancer
is
considered
one
of
the
most
lethal
diseases
responsible
for
causing
deaths
worldwide.
Although
there
have
been
many
breakthroughs
in
anticancer
development,
cancer
remains
major
cause
death
globally.
In
this
regard,
targeting
cancer-causing
enzymes
efficient
therapeutic
strategies.
Biological
functions
like
cell
cycle,
transcription,
metabolism,
apoptosis,
and
other
depend
primarily
on
cyclin-dependent
kinases
(CDKs).
These
help
replication
DNA
normal
cycle
process,
deregulation
functioning
any
CDK
can
abnormal
growth,
which
leads
to
cancer.
This
review
focused
drug
discovery
against
enzyme
using
an
silico
technique,
i.e.,
molecular
docking
studies.
Molecular
helps
deciphering
key
interactions
formed
within
inhibitor
respective
enzyme.
concise
study
provides
overview
current
research
advancements
made
field
discovery.
The
findings
presented
article
understanding
nature
inhibitor-target
provide
information
structural
prerequisites
inhibition
CDKs.
PLoS ONE,
Journal Year:
2023,
Volume and Issue:
18(3), P. e0282586 - e0282586
Published: March 9, 2023
A
new
semisynthetic
derivative
of
the
natural
alkaloid,
theobromine,
has
been
designed
as
a
lead
antiangiogenic
compound
targeting
EGFR
protein.
The
is
an
(
m
-tolyl)acetamide
theobromine
derivative,
T-1-MTA
).
Molecular
Docking
studies
have
shown
great
potential
for
to
bind
EGFR.
MD
(100
ns)
verified
proposed
binding.
By
MM-GBSA
analysis,
exact
binding
with
optimal
energy
was
also
identified.
Then,
DFT
calculations
were
performed
identify
stability,
reactivity,
electrostatic
potential,
and
total
electron
density
.
Furthermore,
ADMET
analysis
indicated
’s
general
likeness
safety.
Accordingly,
synthesized
be
examined
in
vitro
Intriguingly,
inhibited
protein
IC
50
value
22.89
nM
demonstrated
cytotoxic
activities
against
two
cancer
cell
lines,
A549,
HCT-116,
values
22.49,
24.97
μM,
respectively.
Interestingly,
normal
WI-38,
very
high
(55.14
μM)
indicating
selectivity
degrees
2.4
2.2,
flow
cytometry
A549
treated
showed
significantly
increased
ratios
early
apoptosis
(from
0.07%
21.24%)
well
late
0.73%
37.97%).
RSC Advances,
Journal Year:
2023,
Volume and Issue:
13(40), P. 27801 - 27827
Published: Jan. 1, 2023
In
this
study,
novel
VEGFR-2-targeting
thiazolidine-2,4-dione
derivatives
with
potential
anticancer
properties
were
designed
and
synthesized.
The
ability
of
the
to
inhibit
VEGFR-2
stop
growth
three
different
cancer
cell
types
(HT-29,
A-549,
HCT-116)
was
examined
RSC Advances,
Journal Year:
2022,
Volume and Issue:
12(52), P. 33525 - 33539
Published: Jan. 1, 2022
Cancer
is
still
a
dangerous
disease
with
high
mortality
rate
all
over
the
world.
In
our
attempt
to
develop
potential
anticancer
candidates,
new
quinazoline
and
phthalazine
based
compounds
were
designed
synthesized.
The
derivatives
built
in
line
pharmacophoric
features
of
thalidomide.
as
well
thalidomide
examined
against
three
cancer
cell
lines,
namely:
hepatocellular
carcinoma
(HepG-2),
breast
(MCF-7)
prostate
(PC3).
Then
effects
on
expression
levels
caspase-8,
VEGF,
NF-κB
P65,
TNF-α
HepG-2
cells
evaluated.
biological
data
revealed
importance
(24a-c),
which
far
better
than
regard
antiproliferative
activity.
24b
showed
IC50
2.51,
5.80
4.11
μg
mL-1
compared
11.26,
14.58,
16.87
for
lines
respectively.
raised
caspase-8
level
by
about
7
folds,
8
folds
reported
Also,
VEGF
treated
was
185.3
pg
mL-1,
432.5
control
cells.
Furthermore,
immunomodulatory
properties
proven
24b,
reduced
approximately
half.
At
same
time,
P65
76.5
278.1
110.5
measured
Moreover,
an
vitro
viability
study
Vero
non-cancerous
investigated
results
reflected
safety
profile
tested
compounds.
This
work
suggests
promising
lead
compound
development
agents.
