Fluorinated Sulfonamides: Synthesis, Characterization, In Silico, Molecular Docking, ADME, DFT Predictions, and Structure‐Activity Relationships, as Well as Assessments of Antimicrobial and Antioxidant Activities
Drug Development Research,
Год журнала:
2024,
Номер
85(8)
Опубликована: Дек. 1, 2024
ABSTRACT
The
design
and
synthesis
of
unique
two
series
fluorinated
sulfonamides
3a‐f
5a‐g
utilizing
nucleophilic
aromatic
substitution
reactions
tetrafluorophthalonitrile
1
with
various
2
under
a
variety
different
conditions
were
the
key
goals
current
research.
chemical
composition
generated
products
has
been
investigated
via
mass
spectroscopy,
HNMR,
13
CNMR,
infrared,
elemental
analyzes.
Antimicrobial
studies
conducted
in
vitro
to
evaluate
activity
all
new
synthesized
compounds
against
resistant
strains.
first
showed
high
potency
very
low
concentrations.
All
studied
DPPH
Radical
Scavenging
Activity
other
even
molar
ratio.
In
silico
molecular
docking
was
used
investigate
potential
binding
pathways
for
receptors:
dihydroprotien
synthase
protein
(ID
Code:
1AJ0)
as
an
antibacterial
EGFR
WT
co‐crystallized
erlotinib
[PDB
ID
code
1m17].
Furthermore,
good
ADME
predictions
Lipinski
rule
five
demonstrated
that
recently
had
drug‐likeness
qualities
when
physicochemical
parameter
most
powerful
novel
candidates
determined.
Moreover,
DFT/B3LYP
method
functionalized
6‐31G
(d,
p)
basis
set
employed
calculate
quantum
parameters,
MEP
analysis,
HUMO,
LUMO.
Язык: Английский
Synthesis of novel triarylmethane derivatives containing a trichloropyrimidine moiety
Journal of the Iranian Chemical Society,
Год журнала:
2023,
Номер
20(12), С. 2917 - 2922
Опубликована: Окт. 16, 2023
Язык: Английский
Synthesis of acyclic triarylmethane-based compounds containing perfluoropyridine subunits using 4,4′-(p-tolylmethylene)bis(2,6-dimethylphenol) as a flexible spacer
Journal of Molecular Structure,
Год журнала:
2023,
Номер
1302, С. 137360 - 137360
Опубликована: Дек. 21, 2023
Язык: Английский
Utilizing perhalopyridine-based alkynes as suitable precursors for the synthesis of novel poly(1,2,3-triazolyl)-substituted perhalopyridines
RSC Advances,
Год журнала:
2024,
Номер
14(42), С. 30873 - 30885
Опубликована: Янв. 1, 2024
A
novel
series
of
poly(1,2,3-triazolyl)-substituted
perhalopyridines
were
synthesized
under
ultrasonic
irradiation.
We
also
developed
an
effective
method
for
the
preparation
((1,2,3-triazol-4-yl)methoxy)-3,4,5,6-tetrachloropyridines.
Язык: Английский