Dual VEGFR-2 and EGFR T790M inhibitors of phenyldiazenes: anticancer evaluations, ADMET, docking, design and synthesis
Future Medicinal Chemistry,
Год журнала:
2025,
Номер
17(3), С. 287 - 300
Опубликована: Янв. 17, 2025
New
phenyldiazene
scaffold-linked
heterocyclic
pyrazole,
pyrimidinone,
pyrimidinthione,
and/or
triazine
rings
have
been
developed
and
synthesized.
Cytotoxicity
of
our
derivatives
was
estimated
on
four
cancer
VERO
normal
cell
lines
targeting
EGFRT790M
(epidermal
growth
factor
receptor)
VEGFR-2
(vascular
endothelial
receptor-2)
enzymes.
Our
new
selectively
inhibited
both
EGFR
as
they
the
essential
structural
requirements
for
inhibitors
receptors.
Derivative
14
most
active
A549,
HCT116,
HepG2,
MCF-7
cancers
with
half-maximal
inhibitory
concentration
(IC50)
=
5.50,
9.77,
7.12,
7.85
µM
respectively.
The
assessed
5,
7,
8,
9,
10,
12
showed
IC50
54.40-62.60
μM
against
(normal
kidney)
cells
low
toxicity.
In
addition,
14,
7
9
were
discovered
to
be
very
good
at
values
1.15,
1.35,
140,
1.78
1.90
µM,
Furthermore,
strongly
repressed
0.28,
0.33,
0.35,
0.50
correspondingly.
Additionally,
highly
compounds
ADMET
profile.
could
considered
anticancer
agents
dual
inhibition.
Язык: Английский
Comprehensive Insights into Carbonic Anhydrase Inhibition: A Triad of In vitro, In silico, and In vivo Perspectives
Enzyme and Microbial Technology,
Год журнала:
2025,
Номер
189, С. 110657 - 110657
Опубликована: Апрель 17, 2025
Язык: Английский
Molecular Docking: An Emerging Tool for Target-Based Cancer Therapy
Pavithra Uppathi,
Suraj Rajakumari,
K. V. Saritha
и другие.
Critical Reviews™ in Oncogenesis,
Год журнала:
2024,
Номер
30(1), С. 1 - 13
Опубликована: Окт. 4, 2024
Molecular
docking
is
a
structure-based
computational
technique
that
plays
major
role
in
drug
discovery.
enhances
the
efficacy
of
determining
metabolic
interaction
between
two
molecules,
i.e.,
small
molecule
(ligand)
and
target
(protein),
to
find
best
orientation
ligand
its
with
minimal
free
energy
forming
stable
complex.
By
stimulating
drug-target
interactions,
helps
identify
molecules
might
inhibit
cancer-promoting
proteins,
aiding
development
novel
targeted
therapies.
enables
researchers
screen
vast
reorganization,
identifying
potential
anti-cancer
drugs
enhanced
specificity
reduced
toxicity.
The
growing
importance
molecular
underscores
revolutionize
cancer
treatment
by
accelerating
identification
improving
clinical
outcomes.
As
wide
approach,
this
design
can
be
considered
more
effective
timesaving
than
other
methods.
In
review,
we
showcase
brief
information
on
research
for
discovery
identification.
Therefore,
recent
years,
it
concluded
scrutinized
as
one
strategies
at
leading
edge
cancer-targeting
Язык: Английский
New S- and N-alkyl functionalized bis-1,2,4-Triazolyl-based Derivatives as Potential Dual EGFRWT and EGFRT790M Inhibitors: Synthesis, Anti-proliferative Evaluation, Molecular Docking Study and ADMET Studies
Journal of Molecular Structure,
Год журнала:
2024,
Номер
unknown, С. 140720 - 140720
Опубликована: Ноя. 1, 2024
Язык: Английский
Exploring the enhanced bioactivity and reactivity of novel Fe(III) and Co(II) complexes incorporating sulfadiazine tetradentate ligand: Structural, DFT, molecular docking, and biological applications
Journal of Molecular Liquids,
Год журнала:
2024,
Номер
unknown, С. 126594 - 126594
Опубликована: Ноя. 1, 2024
Язык: Английский