Abstract
New
benzimidazole‐based
piperazine
analogues
(
9
a
–
n
)
were
synthesized
and
screened
for
their
cytotoxicity
against
human
breast
cancer
cell
lines
MCF‐7
MDA‐MB‐231
by
employing
Doxorubicin
as
standard
reference.
4‐(trifluoromethyl)benzyl
substituted
compound
f
displayed
outstanding
activity
both
line
with
IC
50
value
of
7.29±0.20
μM
6.92±4.80
respectively,
compared
to
.
Additionally,
butyl
m
showed
superior
cells
7.61±5.90
4‐fluorobenzyl
c
indicated
on
par
the
an
9.15±0.10
The
morphological
study
active
compounds
revealed
have
not
shown
any
toxicity
MCF‐10A
cells.
Molecular
docking
all
Cyclin‐dependent
kinase
6
produced
notable
binding
energies
interactions
in
comparison
co‐crystalized
ligand
Abemaciclib
Pharmacokinetic
evaluation
presented
favourable
drug‐likeness
properties.
Journal of Biomolecular Structure and Dynamics,
Год журнала:
2025,
Номер
unknown, С. 1 - 16
Опубликована: Фев. 19, 2025
The
inhibition
of
twenty-five
1,2-fused/disubstituted
benzimidazoles
on
the
SARS-CoV-2
Mpro
were
investigated
in
this
work.
It
was
found
that
four
compounds
(1i,
1k,
1l,
and
1m)
showed
obvious
inhibitory
effect
Mpro.
1k
(IC50
46.86
μM)
best.
UV-vis,
fluorescence,
CD
molecular
docking
methods
used
to
reveal
mechanisms
interaction
between
these
Results
indicated
static
quenching
main
type
quenching.
1i,
1m
may
alter
conformation
microenvironment
dominant
forces
1i
(or
1l)
hydrogen
bonds
or
van
der
Waals
forces.
electrostatic
hydrophobic
forces,
which
consistent
with
results
docking.
influence
structure
binding
investigated.
Chlorine
atom
groups
favorable
for
derivative
inhibitors
This
work
confirmed
changes
micro-environment
by
provided
clues
design
potential
inhibitors.
European Journal of Organic Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Март 12, 2025
Abstract
Multicomponent
reactions
are
an
efficient
toolbox
of
access
to
complex
compounds,
but
the
development
multicomponent
involved
in
benzimidazole
synthesis
is
still
limited.
Herein,
a
one‐pot,
three‐component
reaction
involving
nitrobenzene,
benzyl
alcohol,
and
sulfonyl
azide
was
developed
for
benzimidazoles
employing
Co‐complexes
(
Salen
Co‐NHPI
)
as
catalyst,
which
by
self‐assembly
from
salen
ligands,
organic
nitrogen
hydroxyl
CoCl
2
.
Compared
with
previously
reported
methods
construction
benzimidazoles,
this
method
involves
novel
hydrogen
borrowing/cyclization
can
provide
variety
moderate
excellent
yields.
RSC Advances,
Год журнала:
2025,
Номер
15(10), С. 7571 - 7608
Опубликована: Янв. 1, 2025
Benzimidazole,
a
fused
bicyclic
compound
with
benzene
and
pentacyclic
1,3-diazole
moeities,
has
simple
aromatic
heterocyclic
structure.
The
moiety
become
an
indispensable
anchor
for
the
development
of
new
pharmacologically
active
products,
yielded
several
therapeutic
agents
anticancer,
antihypertensive,
antimicrobial,
antifungal
antiulcer
effects.
Benzimidazoles,
as
synthetically
feasible
pharmacophoric
synthons,
have
been
relentlessly
pursued
preparation
analogues
derivatives,
they
successfully
developed
into
some
most
sought-after
vital
pharmacophores
drug
discovery.
use
varied
substituents
differing
patterns
around
benzimidazole
nucleus
provided
wide
spectrum
biological
activities.
In
addition,
constitutes
building
block
production
drugs,
candidates,
chemical
entities,
lead
molecules.
importance
this
bioactivity,
e.g.,
antibacterial,
antitubercular,
antidiabetic,
antifungal,
anti-inflammatory,
analgesic,
antioxidant,
antihistaminic,
antimalarial
activity,
led
us
to
take
note
provide
overview
synthetic
approaches
various
derivatives
together
their
actions.
This
review
is
projected
further
assist
in
design
benzimidazole-based
compounds
optimized
products
towards
drug-development
strategies.
Journal of Biochemical and Molecular Toxicology,
Год журнала:
2025,
Номер
39(4)
Опубликована: Апрель 1, 2025
ABSTRACT
A
series
of
benzimidazolium
chlorides
(
2a‐c
)
and
their
corresponding
2‐mercapto
derivatives
3a‐c
were
proficiently
synthesized
analyzed
by
NMR
LC‐MS
spectra.
The
in
vitro
cytotoxic
assay
demonstrated
that
some
compounds
active
on
the
cancer
cell
lines.
binding
potential
most
three
to
topoisomerase
II
alpha
(topo2α)
was
explored
unveil
possible
mode
action
for
activity.
examined
through
molecular
docking.
stability
compound‐enzyme
complexes
from
docking
investigated
dynamics
(MD)
simulation.
study
revealed
showed
ability
bind
enzyme.
However,
strength
weaker
than
standard
drug,
doxorubicin.
MD
simulation
analysis
3a
3b
gave
relatively
stable
with
enzyme
thus
they
would
remain
inside
pocket
during
period.
Furthermore,
pharmacokinetic
properties
computed
silico
.
computation
disclosed
all
exhibited
drug‐like
properties.
It
is
worth
mentioning
them
found
be
nontoxic.
In
furtherance,
inhibitory
effect
quorum
sensing
system
inspected
using
biomonitor
strains
Chromobacterium
violaceum
026,
Chromobacterium.
VIR07
Pseudomonas
aeruginosa
PAO1.
this
regard,
we
focused
appraisal
virulence
factors,
including
pyocyanin,
elastase,
biofilm
formation
are
created
P.
PAO1
as
source
infectious
diseases.
As
a
result,
it
determined
displayed
statistically
significant
inhibition
effects,
highest
activity
observed
elastase
production
an
rate
84–86%.
Organic Letters,
Год журнала:
2022,
Номер
24(47), С. 8703 - 8708
Опубликована: Ноя. 17, 2022
An
intramolecular
sp3
C-H
amination
reaction
of
aniline
derivatives
has
been
established.
This
employs
molecular
iodine
(I2)
under
transition-metal-free
conditions
and
produces
1,2-fused
or
1,2-disubstituted
benzimidazoles.
operationally
simple
synthetic
process
works
well
with
N-substituted
substrates,
forming
novel
benzimidazolium
frameworks.
Under
the
optimal
conditions,
a
broad
variety
1,2-fused/disubstituted
benzimidazoles
salts,
including
several
bioactive
compounds,
were
synthesized
from
readily
accessible
precursors
in
an
efficient
scalable
fashion.
