Abstract
Novel
antibacterial
and
antifungal
agents
were
synthesized
using
thiosemicarbazones
derived
from
3‐(piperazin‐1‐yl)
benzo[d]isothiazole
as
key
intermediates.
These
intermediates
facilitated
the
Synthesis
of
benzo[d]isothiazole‐linked
1,3,4‐oxadiazoles
1,2,4‐triazoles.
The
resulting
compounds
underwent
thorough
structural
characterization
via
mass
spectrometry,
¹H
NMR,
¹
3
C
IR
spectroscopy.
Biological
assessments
showed
that
some
exhibited
moderate
to
good
antimicrobial
activity,
indicating
their
potential
promising
candidates
for
further
drug
development.″
Furthermore,
a
molecular
docking
study
against
DNA
gyrase
could
rationalize
activities
demonstrated
by
these
molecules.
Compounds
10c,
10e,
10h,
11a,
11g,
11h
(MIC
62.5
mg
/mL)
exhibit
one
most
active
analog
10c
(Glide
score:
−9.872,
Glide
energy:
−57.054
kcal/mol)
revealed
major
driving
force
binding
affinity
is
network
favorable
van
der
Waals
interactions,
thus,
serve
foundation
structure‐based
lead
optimization.
Chemical Biology & Drug Design,
Год журнала:
2020,
Номер
97(3), С. 572 - 591
Опубликована: Сен. 18, 2020
Abstract
The
1,3,4‐oxadiazole
nucleus
is
a
biologically
imperative
scaffold
possesses
numerous
biological
activities.
broad
and
potent
activity
of
their
derivatives
has
established
them
as
important
pharmacological
scaffolds
especially
in
the
treatment
cancer
disease.
Several
di‐,
tri‐,
aromatic,
heterocyclic
substituted
have
been
reported
to
possess
anticancer
activity.
These
1,3,4‐oxadiazoles
had
shown
different
mechanism
action
participated
drug
discovery
development.
This
review
complementary
earlier
reviews
aims
work
on
activities
from
year
2000
beginning
2020.
International Journal of Molecular Sciences,
Год журнала:
2021,
Номер
22(13), С. 6979 - 6979
Опубликована: Июнь 29, 2021
The
worldwide
development
of
antimicrobial
resistance
forces
scientists
to
search
for
new
compounds
which
microbes
would
be
sensitive.
Many
structures
contain
the
1,3,4-oxadiazole
ring,
have
shown
various
activity,
e.g.,
antibacterial,
antitubercular,
antifungal,
antiprotozoal
and
antiviral.
In
many
publications,
activity
exceeds
already
known
antibiotics
other
agents,
so
their
potential
as
drugs
is
very
promising.
review
active
derivatives
based
on
literature
from
2015
2021.
Materials,
Год журнала:
2020,
Номер
13(12), С. 2699 - 2699
Опубликована: Июнь 13, 2020
Coordination
polymers
are
constructed
from
metal
ions
and
bridging
ligands,
linking
them
into
solid-state
structures
extending
in
one
(1D),
two
(2D)
or
three
dimensions
(3D).
Two-
three-dimensional
coordination
with
potential
voids
often
referred
to
as
metal-organic
frameworks
(MOFs)
porous
polymers.
Luminescence
is
an
important
property
of
polymers,
playing
a
key
role
their
applications.
Photophysical
properties
the
can
be
associated
intraligand,
metal-centered,
guest-centered,
metal-to-ligand
ligand-to-metal
electron
transitions.
In
recent
years,
rapid
growth
publications
devoted
luminescent
fluorescent
observed.
this
review
use
namely,
4,4'-stilbenedicarboxylic
acid,
1,3,4-oxadiazole,
thiazole,
2,1,3-benzothiadiazole,
terpyridine
carbazole
derivatives,
naphthalene
diimides,
4,4',4''-nitrilotribenzoic
ruthenium(II)
iridium(III)
complexes,
boron-dipyrromethene
(BODIPY)
porphyrins,
for
construction
surveyed.
Applications
such
based
on
photophysical
will
discussed.
The
covers
literature
published
before
April
2020.
Journal of Saudi Chemical Society,
Год журнала:
2021,
Номер
25(8), С. 101284 - 101284
Опубликована: Июнь 19, 2021
Chemotherapy
is
an
important
therapeutic
approach
for
the
treatment
of
cancer.
Currently,
many
anticancer
drugs
are
available
in
market
that
plays
role
cancer
treatment,
but
concerns
such
as,
drug
resistance
and
side
effects
create
urgent
need
development
new
anti-tumor
with
high
potency
less
effects.
Heterocycles
great
interest
due
to
their
fascinating
activity.
Among
them,
1,3,4-oxadiazoles
showed
attracting
activity
its
derivatives
under
clinical
trials
Hybridization
1,3,4-oxadiazole
moiety
other
heterocyclic
pharmacophoresis
a
promising
overcome
various
disadvantages
current
as
resistance,
toxicity,
Thus,
1,3,4-oxadiazole-heterocycle
hybrids
occupy
significant
position
discovery
drugs.
reported
oxadiazole-based
reviewed
here,
compounds
45i,
59j,
62x
highest
IC50
values
nanomolar
range.
This
review
summarizes
recent
developments
potential,
structure–activity
relationships,
mechanisms
actions
hybrids.
Archiv der Pharmazie,
Год журнала:
2021,
Номер
unknown
Опубликована: Авг. 31, 2021
Abstract
Targeting
the
epidermal
growth
factor
receptors
(EGFRs)
with
small
inhibitor
molecules
has
been
validated
as
a
potential
therapeutic
strategy
in
cancer
therapy.
Pyrazolo[3,4‐
d
]pyrimidine
is
versatile
scaffold
that
exploited
for
developing
anticancer
agents.
On
basis
of
fragment‐based
drug
discovery,
considering
essential
pharmacophoric
features
potent
EGFR
tyrosine
kinase
(TK)
inhibitors,
herein,
we
report
design
and
synthesis
new
hybrid
pyrazolo[3,4‐
linked
diverse
fragments
reported
potential.
These
include
hydrazone,
indoline‐2‐one,
phthalimide,
thiourea,
oxadiazole,
pyrazole,
dihydropyrazole.
The
synthesized
were
evaluated
their
activity
against
human
breast
cell
line,
MCF‐7.
obtained
results
revealed
comparable
antitumor
reference
drugs
doxorubicin
toceranib.
Docking
studies
performed
along
EGFR‐TK
ADMET
profiling
studies.
docking
showed
ability
designed
compounds
to
interact
key
residues
through
number
covalent
noncovalent
interactions.
compound
25
(IC
50
=
2.89
µM)
suggested
it
may
serve
lead
further
optimization
development.
Archiv der Pharmazie,
Год журнала:
2022,
Номер
355(6)
Опубликована: Фев. 23, 2022
A
series
of
1,3,4-oxadiazole-1,2,3-triazole
hybrids
bearing
different
pharmacophoric
moieties
has
been
designed
and
synthesized.
Their
antiproliferative
activity
was
evaluated
against
four
human
cancer
cell
lines
(Panc-1,
MCF-7,
HT-29,
A-549)
using
the
MTT
(3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium
bromide)
assay.
The
preliminary
test
displayed
that
most
active
compounds,
6d,
6e,
8a-e,
suppressed
growth
(GI50
=
0.23-2.00
µM)
comparably
to
erlotinib
0.06
µM).
Compounds
8a-e
inhibited
epidermal
factor
receptor
tyrosine
kinase
(EGFR-TK)
at
IC50
0.11-0.73
µM,
compared
(IC50
0.08
±
0.04
apoptotic
mechanism
revealed
hybrid
8d
induced
expression
levels
caspase-3,
caspase-9,
cytochrome-c
in
line
Panc-1
by
7.80-,
19.30-,
13-fold
higher
than
doxorubicin.
Also,
increased
Bax
level
40-fold
doxorubicin,
along
with
decreasing
Bcl-2
6.3-fold.
Cell
cycle
analysis
after
treatment
cells
a
high
proportion
accumulation
(41.53%)
pre-G1
phase,
indicating
arrest
G1
transition.
Computational
docking
8e
EGFR
binding
site
their
ability
bind
similar
erlotinib.
Finally,
silico
absorption,
distribution,
metabolism,
excretion/pharmacokinetic
studies
for
are
discussed.
Pharmaceutics,
Год журнала:
2024,
Номер
16(1), С. 89 - 89
Опубликована: Янв. 9, 2024
Antimicrobial
resistance
is
an
increasing
problem
for
global
public
health.
One
of
the
strategies
to
combat
this
issue
synthesis
novel
antimicrobials
through
rational
drug
design
based
on
extensive
structure–activity
relationship
studies.
The
thiazole
nucleus
a
prominent
feature
in
structure
many
authorized
antimicrobials,
being
clubbed
with
different
heterocycles.
purpose
review
study
antimicrobial
thiazoles
various
heterocycles,
as
reported
literature
between
2017
and
2023,
order
offer
overview
last
years
terms
research
provide
helpful
instrument
future
field.
Pharmaceuticals,
Год журнала:
2021,
Номер
14(5), С. 438 - 438
Опубликована: Май 6, 2021
In
order
to
develop
novel
chemotherapeutic
agents
with
potent
anticancer
activities,
a
series
of
new
2,5-diaryl/heteroaryl-1,3,4-oxadiazoles
were
designed
and
synthesized.
The
structures
the
compounds
established
using
elemental
analyses,
IR
NMR
spectral
data.
evaluated
for
their
potential
on
two
standardized
human
cell
lines,
HT-29
(colon
adenocarcinoma)
MDA-MB-231
(breast
adenocarcinoma).
Cytotoxicity
was
measured
by
MTS
assay,
while
cycle
arrest
apoptosis
assays
conducted
flow
cytometer,
results
showing
that
line
is
more
sensitive
compounds'
action.
predictive
studies
PASS
application
structural
similarity
analysis
indicated
STAT3
miR-21
as
most
probable
pharmacological
targets
compounds.
promising
effect
compound
Anti-Cancer Agents in Medicinal Chemistry,
Год журнала:
2022,
Номер
22(19), С. 3196 - 3207
Опубликована: Апрель 5, 2022
Abstract:
Cancer,
a
crucial
global
health
problem,
is
characterized
by
abnormal
cell
division
and
uncontrolled
growth.
According
to
WHO,
cancer
the
second
leading
cause
of
deaths
accounted
for
approximately
9.6
million
or
one
in
six
2018.
The
National
Cancer
Registry
Programme
Report
2020,
released
ICMRIndia,
estimated
that
there
would
be
13,90,000
cases
India
2020
this
number
likely
rise
15,70,000
2025.
In
spite
several
anti-cancer
drugs,
cannot
cured
completely,
especially
at
late
stages.
current
era,
almost
every
person
suffering
from
some
kind
disease.
Thus,
it
necessity
time
develop
novel,
potent
bioactive
molecules.
Many
researchers
are
working
on
development
new
lead
molecules
finding
biological
target
betterment
human
beings.
However,
heterocycles
constantly
being
used
discovery
clinically
approved
drugs
contain
heterocyclic
core
as
these
show
exhilarating
pharmaceutical
properties,
including
agents
such
methotrexate,
vinblastine,
vincristine,
daunorubicin,
5-fluorouracil,
doxorubicin,
etc.
compounds
provide
fascinating
research
area
design
drug(s).
Herein,
we
focused
natural
well
synthetic
compounds.
Furthermore,
efforts
have
been
made
toward
mechanism
action
selected
