Letters in Drug Design & Discovery,
Год журнала:
2023,
Номер
21(12), С. 2359 - 2373
Опубликована: Сен. 26, 2023
Background:
The
nuclear
retinoic
acid-related
orphan
receptor
γt
(RORγt)
is
an
important
transcription
factor
in
immune
cells.
Functionally,
RORγt
plays
role
promoting
the
differentiation
of
T
helper
17
cells
and
regulating
expression
proinflammatory
factors,
such
as
interleukin
17.
Therefore,
considered
a
promising
target
for
treatment
autoimmune
disorder.
Currently,
21
inverse
agonists
with
various
scaffolds
have
entered
clinical
trials.
Objective:
To
discover
novel
potent
agonists,
series
6-(trifluoromethyl)
pyridine
derivatives
were
designed
synthesized.
Methods:
We
synthesized
W1~W16
based
on
VTP-43742.
Molecular
docking,
molecular
dynamics
(MD)
simulation,
MM/GBSA
used
to
study
structure-activity
relationship
(SAR)
derivatives.
Results:
biological
activity
evaluation
indicated
that
compounds
showed
inhibitory
activity.
most
active
compound,
W14,
exhibited
low
nanomolar
(IC50
=
7.5
nM)
luciferase
reporter
assay,
which
was
superior
compound
Analysis
binding
mode
W14
demonstrated
interaction
-CF3
Leu324,
Leu396,
His479
has
contribution
binding.
Furthermore,
broke
H-bond
formed
by
Tyr502
via
“push-pull”
mechanism.
Conclusion:
Compound
could
be
potential
agonist
further
modification.
Abstract
Heterocycles
are
a
vital
class
of
compounds
in
numerous
fields,
including
drug
discovery,
agriculture,
and
materials
science.
Efficient
methods
for
the
synthesis
heterocycles
remain
critical
meeting
demands
these
industries.
Recent
advances
multicomponent
reactions
(MCRs)
utilizing
2‐aminobenzothiazole
(ABT)
have
shown
promising
results
formation
heterocycles.
The
versatility
this
context
has
enabled
rapid
efficient
construction
diverse
heterocyclic
structures.
Various
synthetic
methodologies
involving
discussed,
highlighting
its
importance
as
valuable
building
block
complex
potential
applications
discovery
material
science
also
explored.
Overall,
review
provides
comprehensive
overview
current
state
research
field
offers
insights
into
future
directions
area
study.
We
highlight
ABT
versatile
sustainable
starting
via
MCRs,
with
significant
implications
chemical
industry.
Abstract
In
recent
years,
heterocyclic
compounds
have
gained
significant
interest
due
to
their
tremendous
application
in
the
medicinal,
optical,
and
biological
fields.
Among
them,
thiazole
is
an
important
heterocycle
containing
nitrogen‐
sulfur‐
ring,
which
stands
out
as
best
for
its
pharmacological
activity.
One
of
routes
synthesize
these
molecules
through
multicomponent
reactions.
Being
a
sustainable
methodology,
it
gives
insights
into
generating
extensive
range
biologically
active
molecules.
This
review
focuses
on
significance
three‐component
four‐component
syntheses
under
various
conditions
from
year
2000
late
2024,
are
particularly
ability
produce
derivatives
with
good
yields.
Polymers for Advanced Technologies,
Год журнала:
2024,
Номер
35(6)
Опубликована: Июнь 1, 2024
Abstract
Semiconducting
materials
are
pivotal
in
various
fields,
such
as
solar
cells,
LEDs,
photovoltaic
etc.
A
nature‐friendly
chitosan
is
a
good
film‐forming,
water‐soluble
polymer
that
modified
to
small
band‐gap
for
optoelectronic
applications.
Choline
chloride:ethylene
glycol:glycerin
(1:1:1)
deep
eutectic
solvent
(DES)‐modified
activated
carbon
incorporated
into
the
matric
and
this
composite
fabricated
thin
films
via
spin
coating
methodology.
The
obtained
subjected
multiple
studies
scanning
electron
microscopy
(SEM),
X‐ray
diffraction
(XRD),
Fourier
transform
infrared
spectroscopy
(FTIR),
impedance
spectroscopy,
UV–vis
perceive
thin‐films
microstructure,
morphology,
conductance,
band
gap,
optical
nature.
integration
of
DES‐modified
has
significantly
improved
charge
transfer
capacity
by
reducing
gap
from
4.0
2.0
eV.
These
notable
characteristics
exhibited
can
be
key
sustainable
semiconducting
have
potential
several
Polymers for Advanced Technologies,
Год журнала:
2024,
Номер
35(6)
Опубликована: Май 29, 2024
Abstract
Reactant
solubility,
which
dictates
achievable
concentrations,
and
the
stability
of
reaction
intermediates
(excited
states),
solvents
modulate
potential
energy
landscape
influence
rates.
Consequently,
solvent
selection
is
pivotal
in
optimizing
process
productivity,
economic
feasibility,
environmental
footprint.
At
present,
organic
synthesis
pivots
around
idea
sustainability.
In
particular,
PEG‐400,
a
popular
phase
transfer
catalyst,
considered
greener
as
it
can
be
reused
several
times
without
significant
loss
its
catalytic
activity,
checks
box
regarding
This
review
highlights
emerging
Polyethylene
Glycol
400
(PEG‐400)
dual‐threat
agent
sustainable
synthesis.
We
explore
efficacy
promoting
various
reactions
under
mild
conditions
often
eliminating
need
for
traditional
metal
catalysts.
Additionally,
PEG‐400's
role
green
addressed,
emphasizing
biodegradability,
low
toxicity,
ability
to
facilitate
hazardous
Volatile
Organic
Compounds
(VOCs).
The
examines
recent
research
on
PEG‐400
mediated
reactions,
showcasing
effectiveness
diverse
transformations,
thus
exploring
PEG
facilitator
heterocycle
both
multicomponent
stepwise
approaches.
It
identifies
exciting
directions
that
promise
expand
boundaries
polymer‐based
heterocyclic
chemistry.
Polymers for Advanced Technologies,
Год журнала:
2024,
Номер
35(5)
Опубликована: Май 1, 2024
Abstract
This
study
investigates
the
synthesis,
analysis,
and
utility
of
films
comprising
deep
eutectic
solvent
(DES)
grafted
activated
charcoal
(AC)
within
a
polyvinyl
alcohol
(PVA)
matrix
for
optoelectronic
device
applications.
The
fabrication
process
involves
dispersion
DES
functionalization
AC
into
PVA
solution,
followed
by
casting
onto
substrates
with
controlled
drying.
Comprehensive
characterization
encompassing
X‐ray
diffraction
(XRD),
scanning
electron
microscopy
(SEM),
UV–vis
spectroscopy,
Fourier‐transform
infrared
spectroscopy
(FTIR),
impedance
which
discerns
microstructure,
morphology,
conductance,
band‐gap,
optical
traits.
infusion
variable
concentration
has
significantly
influenced
absorbance
reduced
band
gap
indicating
efficient
charge
mobility.
Furthermore,
analysis
revealed
electrical
conduction
film
to
be
1.8
×
10
−6
Ω
−1
m
.
In
summary,
modified
in
have
converted
insulating
semiconducting
polymeric
band‐gap
increased
absorption,
present
propitious
avenue
wide
array
devices,
such
as
thin
transistors,
photovoltaics,
LEDs,
photodetectors,
many
Abstract
We
present
a
novel,
efficient,
eco‐friendly
sonochemical
strategy
for
the
synthesis
of
fused
nitrogen
heterocycles
via
Brønsted
acid‐promoted,
one‐pot
multicomponent
reactions
(MCRs).
This
method
involves
rapid
assembly
6‐aminoindazole,
aryl
aldehydes,
and
1,3‐cyclodione
derivatives
(barbituric
acid,
dimedone,
1,3‐dimethyl
barbituric
acid)
under
mild
identical
reaction
conditions.
The
approach
delivers
diverse
range
highly
functionalized
heterocyclic
frameworks,
including
11‐phenyl‐1,6,7,11‐tetrahydro‐8
H
‐pyrazolo[3,4‐
f
]pyrimido[4,5‐
b
]quinoline‐8,10(9
)‐dione,
8,8‐dimethyl‐11‐phenyl‐1,6,7,8,9,11‐hexahydro‐10
]acridin‐10‐one,
7,9‐diphenyl‐1,6,7,9‐tetrahydro‐2′
‐spiro[pyrazolo[3,4‐
]quinoline‐8,5′‐pyrimidine]‐2′,4′,6′(1′
,3′
)‐trione
derivatives.
molecular
structures
these
compounds
were
unambiguously
confirmed
through
1H‐NMR,
13C‐NMR
single‐crystal
X‐ray
diffraction
(SC‐XRD)
analysis.
Additionally,
control
experiments
provided
valuable
mechanistic
insights
into
pathway.
protocol
stands
out
its
efficiency,
high
yields,
broad
functional
group
tolerance,
making
it
versatile
tool
diversity‐oriented
in
modern
chemistry.
