Current Organic Chemistry,
Journal Year:
2023,
Volume and Issue:
27(1), P. 62 - 70
Published: Jan. 1, 2023
Aims:
In
this
study,
the
synthesis
and
biological
activity
of
new
1,3,4-oxadiazole
derivatives
will
be
discussed.
Background:
Microbial
contagion
via
different
bacterial
strains
discomposes
healthcare
system
globally.
2019
E.
coli,
S.
aureus,
K.
pneumoniae,
pneumoniae
were
reported
as
most
bacteremia
deaths
causes.
Over
time,
bacteria
develop
ways
to
overcome
antibiotic
activity,
causing
multidrug
resistant
(MDR).
The
MDR
is
considered
one
biggest
concerns
scientists
worldwide
due
its
direct
effect
on
patients'
lives.
As
a
result,
developing
drugs
has
become
imperative
for
protect
human
life.
Objective:
Developing
water
soluble
antibacterial
from
cheap
commercially
available
materials.
Methods:
Microdilution
Assay
Antimicrobial
potential
was
performed
based
experimental
procedure
with
slight
modifications.
Briefly,
chemical
preparations
serially
diluted
(2-fold)
ten
times
Muller
Hinton
broth.
Well
number
eleven
negative
control
growth,
while
well
twelve
contained
nutrient
broth
only
used
positive
growth.
achieved
concentrations
solutions
10
mg/mL
9
μg/mL.
A
serial
two-fold
dilution
DMSO
prepared
ensure
that
antimicrobial
not
DMSO.
Moreover,
blank
or
background
each
final
concentration
in
(except
control)
adjusted
0.75
×
106
CFU/ml.
After
inoculation
bacteria,
plates
covered
incubated
overnight
at
37oC
24
hours.
then
scanned
an
enzyme-linked
immunosorbent
assay
(ELISA)
reader
600
Nano
moles
examine
density.
lowest
did
allow
any
visible
microbial
growth
test
minimal
inhibitory
(MIC),
which
further
confirmed
by
culturing
(MIC)
Henton
agar
incubating
twenty-four
molecular
geometries
compounds
4a,
4e,
4j,
4p
optimized
B3LYP/6-311+G(d,p)
level
theory
using
DFT
calculations.
Results:
examination
results
show
compound
4j
interesting
against
faecium
MIC
value
However,
it
found
have
low
E.coli
625
On
other
hand,
4e
showed
very
good
78
μg/mL
312
structural
properties
investigated
density
functional
(DFT)
biologically
active
gas
phase
B3LYP
method
6-31+G(d,p)
bases
set.
resulting
ground-state
structures
take
V
shape
two
conjugated
are
connected
methylene
group.
electrostatic
map
(MEP)
calculated
indicate
that,
intense
blue
region
largest
distributed
over
pyridinium
ring,
indicates
binding
chloride
ion.
Journal of Materials Chemistry B,
Journal Year:
2023,
Volume and Issue:
11(29), P. 6802 - 6822
Published: Jan. 1, 2023
This
article
reviews
the
recent
developments
in
use
of
MOF
materials
as
probes
and
biosensing
platforms
for
diverse
chemicals
(H
2
O
,
metal
ions,
H
S,
GSH,
nucleic
acids)
biological
cells.
Dalton Transactions,
Journal Year:
2023,
Volume and Issue:
52(19), P. 6226 - 6238
Published: Jan. 1, 2023
This
review
focuses
on
the
application
of
platinum
as
an
anticancer
drug
and
MOF
materials
loading
species;
prospect
for
its
future
development
is
also
discussed.
Molecules,
Journal Year:
2023,
Volume and Issue:
28(7), P. 2967 - 2967
Published: March 27, 2023
Two
aminobenzoic
acid
based
crystalline
imines
(HMBA
and
DHBA)
were
synthesized
through
a
condensation
reaction
of
4-aminobenzoic
substituted
benzaldehydes.
Single-crystal
X-ray
diffraction
was
employed
for
the
determination
structures
prepared
Schiff
bases.
The
stability
super
molecular
both
molecules
achieved
by
intramolecular
H-bonding
accompanied
strong,
as
well
comparatively
weak,
intermolecular
attractive
forces.
comparative
analysis
non-covalent
forces
in
HMBA
DHBA
performed
Hirshfeld
surface
an
interaction
energy
study
between
pairs.
Along
with
synthesis,
quantum
chemical
calculations
also
accomplished
at
M06/6-311G
(d,
p)
functional
density
theory
(DFT).
frontier
orbitals
(FMOs),
electrostatic
potential
(MEP),
natural
bond
(NBOs),
global
reactivity
parameters
(GRPs)
population
(NPA)
analyses
carried
out.
findings
FMOs
found
that
Egap
examined
to
be
smaller
(3.477
eV)
than
(3.7933
eV),
which
indicated
greater
charge
transference
rate
HMBA.
Further,
NBO
showed
efficient
transfer
(ICT),
studied
analysis.
Pharmaceuticals,
Journal Year:
2023,
Volume and Issue:
16(7), P. 1045 - 1045
Published: July 24, 2023
The
1,3,4-oxadiazole
derivatives
Ox-6a-f
have
been
synthesized
by
incorporating
flurbiprofen
moiety
with
the
aim
to
explore
potential
of
target
molecules
decrease
oxidative
stress.
title
compounds
were
prepared
simple
reactions
in
which
a
-COOH
group
was
esterified
methanol
an
acid-catalyzed
medium,
then
reacted
hydrazine
afford
corresponding
hydrazide.
acid
hydrazide
cyclized
into
1,3,4-oxadiazole-2-thiol
reacting
CS2
presence
KOH.
reaction
-SH
various
alkyl/aryl
chlorides,
involves
S-alkylation
reaction.
structures
ascertained
spectroscopic
data.
silico
molecular
docking
performed
against
proteins
cyclooxygenase-2
COX-2
(PDBID
5KIR)
and
cyclooxygenase-1
COX-1
6Y3C)
determine
binding
affinity
these
structures.
It
has
inferred
that
most
bind
well
active
site
5KIR
compared
6Y3C,
especially
compound
Ox-6f
showed
excellent
(7.70
kcal/mol)
among
all
Ox-6a-f.
dynamic
(MD)
simulation
also
check
stability
complexes
ligands
determining
their
root
mean
square
deviation
fluctuation.
Little
fluctuation
observed
case
Ox-6f,
forms
stable
complex
COX-2.
comprehensive
antioxidant
evaluated
free
radical
scavenging
activity,
including
DPPH,
OH,
nitric
oxide
(NO),
iron
chelation
assay.
derivative
promising
results
80.23%
at
dose
100
µg/mL
while
ascorbic
exhibited
87.72%
inhibition
same
dose.
anti-inflammatory
activity
final
products
performed,
inflammatory
markers
assayed,
such
as
thiobarbituric
acid-reducing
substance,
oxide,
interleukin-6
(IL-6),
Ox-6d
displayed
higher
exhibiting
70.56%
74.16%
respectively.
standard
ibuprofen,
84.31%
dose,
200
µg/mL.
following
carrageen-induced
hind
paw
edema
model,
79.83%
reduction
volume
reduced
volume.
As
dry
lab
wet
confirm
each
other,
it
deduced
may
serve
lead
structure
design
potent
address
