Identification of coumarin – benzimidazole hybrids as potential antibacterial agents: Synthesis, in vitro and in vivo biological assessment, and ADMET prediction
Bioorganic & Medicinal Chemistry Letters,
Год журнала:
2024,
Номер
110, С. 129881 - 129881
Опубликована: Июль 10, 2024
Язык: Английский
Exploring 1,2,3-triazole-Schiff’s base hybrids as innovative EGFR inhibitors for the treatment of breast cancer: In vitro and in silico study
Bioorganic Chemistry,
Год журнала:
2025,
Номер
155, С. 108106 - 108106
Опубликована: Янв. 4, 2025
Язык: Английский
The Current Landscape of 1,2,3‐triazole Hybrids With Anticancer Therapeutic Potential: Part II
Archiv der Pharmazie,
Год журнала:
2025,
Номер
358(4)
Опубликована: Апрель 1, 2025
Chemotherapy
has
been
identified
as
a
validated
and
critically
important
strategy
for
the
treatment
of
cancer,
but
multidrug
resistance
serious
side
effects
remain
grand
challenges
effective
cancer
therapy.
This
highlights
urgent
need
development
alternative
chemical
entities
that
can
modulate
more
than
one
biological
target
with
high
specificity
multitargeted
mechanism
action
in
disease
progression
pathway.
1,2,3-Triazole
hybrids
have
potential
to
act
on
dual/multiple
targets
cells
simultaneously
possess
potent
broad-spectrum
activity
against
various
cancers,
including
drug-resistant
forms.
Thus,
1,2,3-triazole
are
valuable
scaffolds
eradication
cancer.
review
provides
comprehensive
overview
evolving
landscape
their
vitro
vivo
anticancer
potential,
structure-activity
relationships
well
mechanisms
also
discussed,
covering
articles
published
from
2021
onward.
Язык: Английский
Microwave-assisted one-pot synthesis of fused isoxazolo[4′,5′:3,4]pyrrolo[1,2-c]pyrimidines as potent anticancer agents: In vitro and in silico study
Tetrahedron Letters,
Год журнала:
2025,
Номер
162, С. 155570 - 155570
Опубликована: Апрель 8, 2025
Язык: Английский
Synthesis and Anticancer Activity of Isoquinoline‐Imidazo[1,2‐a]Pyridine Linked Sulfonyl Derivatives
ChemistrySelect,
Год журнала:
2025,
Номер
10(15)
Опубликована: Апрель 1, 2025
Abstract
Several
novel
imidazo[1,2‐
a
]pyridine‐isoquinoline‐linked
sulfonyl
derivatives
were
designed
and
synthesized
in
this
study.
These
subsequently
assessed
vitro
for
their
inhibitory
effects
on
EGFR
kinases
antiproliferative
activity
against
two
breast
cancer
cell
lines.
of
the
compounds
demonstrated
satisfactory
efficacy
comparison
to
primary
agent,
erlotinib.
The
most
promising
compounds,
6‐methoxy‐2‐methyl‐1‐(2‐phenyl‐6‐(1‐((3‐(trifluoromethyl)phenyl)sulfonyl)‐1,2,3,6‐tetrahydro
pyridin‐4‐yl)imidazo[1,2‐a]pyridin‐3‐yl)‐1,2,3,4‐tetrahydro
isoquinoline,
6‐methoxy‐2‐methyl‐1‐(2‐phenyl‐6‐(1‐((4‐(trifluoromethoxy)
phenyl)
sulfonyl)‐1,2,3,6‐tetrahydropyridin‐4‐yl)imidazo[1,2‐a]pyridin‐3‐yl)‐1,2,3,4‐tetrahydroisoquinoline,
6‐methoxy‐2‐methyl‐1‐(2‐phenyl‐6‐(1‐((3‐(trifluoromethoxy)phenyl)sulfonyl)‐1,2,3,6‐tetrahydropyridin‐4‐yl)
imidazo[1,2‐a]pyridin‐3‐yl)‐1,2,3,4‐tetrahydroisoquinoline,
exhibited
exceptional
anticancer
MCF‐7
MDA‐MB‐231
lines,
with
IC
50
values
ranging
from
2.69
±
0.24
7.64
0.15
µM.
Subsequently
results
that
above
potent
more
efficacious
than
conventional
medicine
molecular
interactions
human
epidermal
growth
factor
receptor
(EGFR)
(PDB:
4HJO),
which
included
co‐crystallized
ligand
(erlotinib)
evaluated
through
silico
docking
studies.
It
was
noted
binding
energies
all
higher
those
standard
drug,
Язык: Английский
1,2,3-Triazole – [1,2,4]triazolo[3,4-b][1,3,4]thiadiazine hybrids: A switch for improvement of antibreast cancer activity targeting epidermal growth factor receptor
Praveen Telukuntla,
Munugala Chandrakanth,
P.G. Amrutha
и другие.
Tetrahedron Letters,
Год журнала:
2024,
Номер
146, С. 155180 - 155180
Опубликована: Июль 9, 2024
Язык: Английский
Microwave-assisted Click Synthesis, Characterisation, and In silico Studies of novel 2H-chromene-1,2,3-triazolyl glycoconjugates as Potent Anticancer and Antibacterial agents
Journal of Molecular Structure,
Год журнала:
2024,
Номер
1318, С. 139323 - 139323
Опубликована: Июль 17, 2024
Язык: Английский
Synthesis, docking studies, in silico ADMET predictions, DFT calculations, and photophysical properties of thiazole-anthracene hybrids as potent EGFR inhibitors
Journal of Molecular Structure,
Год журнала:
2024,
Номер
1317, С. 139067 - 139067
Опубликована: Июнь 19, 2024
Язык: Английский
Selective Metal‐Coordinated Nanodrugs Based on Thiazine Moiety for Anticancer Therapeutics: Spectroscopic, Theoretical, and Molecular Docking Studies
Applied Organometallic Chemistry,
Год журнала:
2024,
Номер
unknown
Опубликована: Окт. 29, 2024
ABSTRACT
The
current
study
involved
production,
comprehensive
structural
analysis,
and
physicochemical
characterizing
of
two
distinctive
complexes
namely,
Cu(
TBH
)
Zn(
);
donor
ligand:
N′‐(1‐(3,6‐dihydro‐4‐hydroxy‐2,6‐dioxo‐2H‐1,3‐thiazin‐5‐yl)ethylidene)‐2‐hydroxybenzohydrazide)
using
a
wide
range
analytical
methods,
including
elemental
UV–Vis,
FT‐IR,
1
HNMR
spectrometry,
molar
conductivity
magnetic
susceptibility
measurements,
thermal
analysis.
According
to
the
findings,
chelation
can
occur
through
O,
N,
O
atoms
monoanionic
chelator
for
generating
mono‐nuclear
chelates
with
tetrahedral
geometry
Cu
(II)
octahedral
Zn
(II).
anticarcinogenic
ability
its
coordinated
compounds
against
human
liver
cancer
(HepG‐2)
was
investigated.
complex
found
have
selective
promising
anticancer
activity
cell
line,
lower
IC
50
(liver
carcinoma
line)
higher
(normal
values
than
other
produced
standard
drugs.
Utilizing
DFT
computations,
molecular
structures
were
verified,
offering
detailed
understanding
their
quantum
chemical
characteristics.
A
quantitative
structure–activity
relationship
(QSAR)
model,
which
illustrates
association
between
DFT‐computed
descriptors
biological
activities
pIC
,
also
created
multiple
linear
regression
(MLR)
on
synthesized
as
medicines.
Additionally,
there
are
no
issues
compounds'
oral
bioavailability
according
(ROF)
Lipinski's
rule
five.
Furthermore,
docking
studies
CDK2
kinase
been
performed
validate
findings.
our
novel
nanodrug
exhibits
considerable
cytotoxic
activity,
prompting
further
into
pharmacological
profile
exploring
potential
in
drug
development.
Язык: Английский