ACS Omega,
Journal Year:
2023,
Volume and Issue:
8(38), P. 35307 - 35320
Published: Sept. 15, 2023
Polymorphism
is
an
exciting
feature
of
chemical
systems
where
a
compound
can
exist
in
different
crystal
forms.
The
present
investigation
focused
on
the
two
polymorphic
forms,
triclinic
(MSBT)
and
monoclinic
(MSBM),
ethyl
3-iodo-4-((4-methylphenyl)sulfonamido)benzoate
prepared
from
4-amino-3-iodobenzoate.
polymorphs
were
unambiguously
confirmed
by
single-crystal
X-ray
diffraction
(SC-XRD)
analysis.
According
to
SC-XRD
results,
molecular
configurations
both
structures
are
stabilized
intramolecular
N–H···I
C–H···O
bonding.
packing
MSBT
as
compared
MSBM
because
crystallized
system
with
space
group
P1̅,
whereas
P21/c.
molecules
interlinked
form
dimers
through
N–H···O
bonding
R22(8)
loops,
while
connected
each
other
infinite
chain
compounds
further
off-set
π···π
stacking
interactions
between
phenyl
rings,
which
found
stronger
MSBT.
Moreover,
Hirshfeld
surface
exploration
was
carried
out,
results
closely
related
literature
structure.
Accordingly,
supramolecular
assembly
these
mainly
noncovalent
or
intermolecular
interactions.
Furthermore,
density
functional
theory
(DFT)
study
also
provided
good
support
for
studies,
suggesting
formation
compounds.
Polish Journal of Chemical Technology,
Journal Year:
2023,
Volume and Issue:
25(3), P. 23 - 30
Published: Sept. 1, 2023
Abstract
Silver
nanoparticles
have
special
plasmonic
and
antibacterial
characteristics
that
make
them
efficient
in
a
variety
of
commercial
medical
applications.
According
to
recent
research,
chemically
synthesized
silver
are
harmful
even
low
concentrations.
It
was
crucial
identify
appropriate
synthesis
methods
may
costs
be
nontoxic
the
environment.
Zingiber
officinale
(ginger)
extracts
used
prepare
were
inexpensive
environmentally
friendly,
best
physicochemical
analyzed.
characterized
by
using
UV-visible
spectroscopy,
Scanning
electron
microscopy
(SEM),
X-ray
diffraction
(XRD).
The
surface
Plasmon
resonance
peak
at
425
nm
observed
UV-Visible
spectroscopy.
spherical
ranged
size
from
5
35
nm.
XRD
pattern
values
2θ:
38.2
o
,
46.3
64.58
determine
planes
(111),
(200),
(220).
nanoparticle’s
existence
verified
face-centered
cubic
(FCC).
found
efficacy
against
gram-positive
Staphylococcus
gram-negative
bacteria
such
as
Pseudomonas
aeruginosa
Klebsiella
Aerogenes
Salmonella
Escherichia
coli
.
activity
agar
well
diffusion
(AWD)
method
three
different
concentrations
(100
μg/ml,
75
50
μg/ml).
zone
inhibition
measured
bacterial
strains
pseudomonas
Aeruginosa
aerogenes
which
(18.4±1.25
mm,
16.9±0.74
14.8±1.25
mm),
(16.8±0.96
14.6±0.76
14.0±1.15
(19.7±0.76
18.2±0.66
15.4±1.15
(16.6±0.67
14.2±0.23
12.8±0.78
mm)
(12±0.68
10±0.20
08±0.15
mm).
These
nanoparticles’
potent
properties
enable
employed
nanomedicines
for
illness
treatments.
Intelligent Pharmacy,
Journal Year:
2023,
Volume and Issue:
2(2), P. 204 - 225
Published: Nov. 29, 2023
The
emergence
of
multi-drug-resistant
autoimmune
diseases
poses
a
significant
risk
to
human
health
and
has
garnered
global
attention.
In
this
study,
metformin
sulfasalazine
have
been
used
as
starting
materials
or
control.
This
research
successfully
designed
hundred
compounds,
assess
their
efficacy
against
two
disease
pathogens:
type
1
diabetes
rheumatoid
arthritis.
DFT
method
was
engaged
calculate
the
vibrational
frequencies
Frontier
Molecular
orbitals
(FMOs)
selected
compounds.
reactivity
selectivity
compounds
are
analyzed
using
parameters
like
MEP
descriptors,
which
calculated
interpreted.
Density
state
(DOS)
molecule
plotted
Furthermore,
docking
results
showed
favorable
interactions
compound
D385
with
catalytically
important
amino
acid
residues.
best
active
when
compared
template
standard
drugs
show
similar
binding
sites.
studies
further
confirm
presence
HOMO
orbital
centered
on
isoxazole
ring
highlighting
its
importance
for
receptor-ligand
hydrogen
hydrophobic
interactions.
molecular
dynamics
simulations
MM/GBSA
analysis
reveal
that
inhibitory
nature
is
proven
inhibitor
arthritis
activities.
Our
study
suggested
comparable
may
be
experimental
studies.
It
can
also
pipeline
search
design
new
potential
inhibitors.
most
promising
candidates
from
computational
trials
examined
in
wet
laboratory
experiment
before
moving
clinical
trials.
