Phosphorus, sulfur, and silicon and the related elements,
Год журнала:
2023,
Номер
unknown, С. 1 - 5
Опубликована: Авг. 21, 2023
AbstractA
new
greener
protocol
that
includes
the
rapid
and
quantitative
conversion
of
diaryl
diselenides,
bearing
an
amido
function,
to
corresponding
N-substituted
benzisoselenazolones
by
254
nm
wavelength
UV
lamp
irradiation
is
presented.
This
free
radical
Se-N
bond
formation
was
utilized
for
a
series
diversified
substrates
under
mild
reaction
conditions.
Carrying
out
process
in
photochemically
inactive
solvent
like
acetonitrile
enabled
obtain
both
N-aliphatic
N-aromatic
derivatives.Keywords:
Benzisoselenazol-3(2H)-onesdiselenidesUV-lightradical
reactionbioactive
compounds
Scientific Reports,
Год журнала:
2025,
Номер
15(1)
Опубликована: Фев. 26, 2025
Ebsulfur
and
ebselen
derivatives
that
were
proven
to
be
potent
inhibitors
against
the
main
protease
(MPro)
of
SARS-CoV-2
which
is
an
essential
enzyme
for
viral
replication
chosen
study
quantitative
structure–activity
relationship
(QSAR)
analysis
using
a
classical
multiple
linear
regression
(MLR)
machine
learning
approach
random
forest
(RF)
artificial
neural
network
(ANN)
in
order
find
between
molecular
structural
properties
biological
inhibitory
activities.
With
statistical
criteria,
R2
values
MLR,
RF,
ANN
models
training
set
0.83,
0.82,
0.92,
respectively.
The
RMSE
test
considered
model
evaluation,
results
0.27,
0.18,
0.09
models,
Therefore,
was
best-obtained
predicting
MPro
activity
thirteen
new
synthetic
analogs
haven't
tested
assay
before.
Notably,
our
predicted
activities
then
examined
enzyme-based
assays
cytotoxicity
tests,
found
compound
P8
resulted
good
potential
candidate
activity.
Furthermore,
dynamics
simulations
performed
dynamic
interaction
ligand
binding
site;
showed
pathway
mechanism
with
key
residues
surrounding
active
site
MPro,
useful
further
development
derivatives.
The Journal of Organic Chemistry,
Год журнала:
2023,
Номер
88(7), С. 4273 - 4285
Опубликована: Март 17, 2023
Copper-catalyzed
direct
selenation
of
substituted
2-bromo-N-phenylbenzamide
substrates
with
elemental
selenium
powder
provided
a
series
methoxy-substituted
isoselenazolones
via
the
C-Se
and
Se-N
bond
formations.
Phenolic
have
been
obtained
by
O-demethylation
corresponding
analogues
using
boron
tribromide.
Some
structurally
characterized
X-ray
single-crystal
analysis.
The
glutathione
peroxidase
(GPx)-like
antioxidant
activity
has
evaluated
both
in
thiophenol
coupled-reductase
assays.
All
showed
good
GPx-like
activities
assay.
ferric-reducing
power
phenolic
antioxidants
also
evaluated.
best
were
found
to
be
agents.
single
electron
transfer,
hydrogen
atom
proton-coupled
transfer
mechanisms
for
properties
all
catalysts
supported
density
functional
theory
calculations.
catalytic
cycle
was
proposed
one
involving
diselenide,
selenenyl
sulfide,
selenol,
selenenic
acid
as
intermediates
77Se{1H}
NMR
spectroscopy.
Organic Letters,
Год журнала:
2024,
Номер
26(31), С. 6625 - 6630
Опубликована: Авг. 1, 2024
By
employing
elemental
selenium
as
the
source,
we
have
realized
amidine-directed
Rh(III)-catalyzed
cascade
C–H
selenylation/[5
+
1]
annulation
for
direct
construction
of
structurally
novel
selenadiazine,
benzoselenadiazine,
and
benzoselenazol-3-amine
frameworks
with
specific
site
selectivity
good
functional
group
tolerance.
Besides,
obtained
products
can
serve
fundamental
platforms
subsequent
chemical
transformations,
thus,
feasible
SeNEx
reaction,
SeNEx/Michael
addition,
simple
conversion
selenadiazine
product
into
diverse
other
organoselenium
molecules
were
demonstrated
accordingly.
Taken
together,
developed
methodology
efficiently
expands
space
species.
Chemistry - A European Journal,
Год журнала:
2023,
Номер
29(71)
Опубликована: Сен. 22, 2023
Selenocysteine
(Sec)-derived
cyclic
selenenyl
amides,
formed
by
the
intramolecular
cyclization
of
Sec
selenenic
acids
(Sec-SeOHs),
have
been
postulated
to
function
as
protective
forms
in
bypass
mechanism
glutathione
peroxidase
(GPx).
However,
their
chemical
properties
not
experimentally
elucidated
proteins
or
small-molecule
systems.
Recently,
we
reported
first
nuclear
magnetic
resonance
observation
Sec-SeOHs
and
corresponding
amides
using
selenopeptide
model
systems
incorporated
a
molecular
cradle.
Herein,
elucidate
structures
reactivities
Sec-derived
amides.
The
crystal
reactions
toward
cysteine
thiol
1,3-diketone-type
probe
indicated
highly
electrophilic
character
This
suggests
that
they
can
serve
only
suppress
inactivation
GPx
but
also
intermediates
selenoproteins.
