Molecules,
Год журнала:
2023,
Номер
28(3), С. 1052 - 1052
Опубликована: Янв. 20, 2023
Dearomative
borylation
of
coumarins
and
chromenes
via
conjugate
addition
represents
a
relatively
unexplored
challenging
task.
To
address
this
issue,
herein,
we
report
new
general
copper
(I)
catalyzed
dearomative
process
to
synthesize
boron-containing
oxacycles.
In
report,
the
coumarins,
chromones,
comprising
functional
groups,
such
as
esters,
nitriles,
carbonyls,
amides,
has
been
achieved.
addition,
method
generates
different
classes
potential
boron-based
retinoids,
including
ones
with
oxadiazole
anthocyanin
motifs.
The
borylated
oxacycles
can
serve
suitable
intermediates
generate
library
compounds.
Journal of Materials Chemistry B,
Год журнала:
2023,
Номер
11(29), С. 6802 - 6822
Опубликована: Янв. 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,
Год журнала:
2023,
Номер
52(19), С. 6226 - 6238
Опубликована: Янв. 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,
Год журнала:
2023,
Номер
28(7), С. 2967 - 2967
Опубликована: Март 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,
Год журнала:
2023,
Номер
16(7), С. 1045 - 1045
Опубликована: Июль 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
