Polycyclic aromatic compounds,
Год журнала:
2023,
Номер
unknown, С. 1 - 22
Опубликована: Окт. 29, 2023
In
view
of
the
extremely
important
biological
and
medicinal
properties
napthofurans,
synthesis
these
heterocycles
has
fascinated
interest
organic
chemists.
Keeping
this
in
mind,
we
herein
report
antimicrobial
evaluation
4-N-aryl-naphtho[2,1-b]furo[3,2-d]
pyrimidines
5
(a–l).
Structures
synthesized
compounds
were
confirmed
by
spectral
analysis
like
IR,
NMR,
Mass
spectrometry.
The
vitro
activities
reported
for
all
5e
5f
exhibited
excellent
antibacterial,
antifungal,
antidermatophytic
against
tested
pathogens
at
MIC
3.125,
3.125
µg/mL,
respectively.
Furthermore,
molecular
docking
studies
S.
aureus
tyrosyl-tRNA
synthetase
(PDB
ID:
1JIJ),
Gyrase
2XCT),
SARS-CoV-2
Omicron
7TOB),
revealed
potential
binding
mode
ligands
to
site
appropriate
targets.
Finally,
drug-likeness
structure-activity
relationship
also
disclosed.
Research Square (Research Square),
Год журнала:
2023,
Номер
unknown
Опубликована: Фев. 1, 2023
Abstract
In
view
of
the
extremely
important
biological
and
medicinal
properties
napthofurans,
synthesis
these
heterocycles
has
fascinated
interest
organic
chemists.
Keeping
this
in
mind,
we
herein
reporting
synthesis,
antimicrobial
evaluation
4-N-aryl
-naphtho[2,1-b]furo[3,2-d]
pyrimidines
5
(a-l).
Structures
synthesized
compounds
were
confirmed
by
spectral
analysis
like
IR,
NMR
Mass
spectrometry.
The
vitro
activities
reported
for
all
5e
5f
exhibited
excellent
antibacterial,
antifungal
antidermatophytic
against
tested
pathogens
at
MIC
3.125,
3.125g/ml
respectively.
Furthermore,
molecular
docking
studies
Staphylococcus
aureus
tyrosyl-tRNA
synthetase
(PDB
ID:
1JIJ),
S.
Aureus
Gyrase
2XCT)
SARS-CoV-2
Omicron
7TOB),
revealed
potential
binding
mode
ligands
to
site
appropriate
targets.
Finally,
drug
likeness
structures
activity
relationship
also
disclosed.
Journal of Molecular Recognition,
Год журнала:
2023,
Номер
36(10)
Опубликована: Сен. 2, 2023
COVID-19
was
a
global
pandemic
in
the
year
2020.
Several
treatment
options
failed
to
cure
disease.
Thus,
plant-based
medicines
are
becoming
trend
nowadays
due
their
less
side
effects.
Bioactive
chemicals
from
natural
sources
have
been
utilised
for
centuries
as
variety
of
ailments.
To
find
out
potent
bioactive
compounds
counteract
COVID-19,
we
use
systems
pharmacology
and
cheminformatics.
They
definitive
data
predict
possible
outcomes.
In
this
study,
collected
total
72
phytocompounds
medicinally
important
plants
such
Garcinia
mangostana
Cinnamomum
verum,
which
13
potential
were
identified
be
active
against
infection
based
on
Swiss
Target
Prediction
compound
target
network
analysis.
These
annotated
identify
specific
human
receptor
that
targets
COVID-19-specific
genes
MAPK8,
MAPK14,
ACE,
CYP3A4,
TLR4
TYK2.
Among
these,
smeathxanthone
A,
demethylcalabaxanthone,
mangostanol,
trapezifolixanthone
camphene
C.
verum
putatively
various
COVID-19-related
genes.
Molecular
docking
results
showed
A
demethylcalabaxanthone
exhibit
increased
binding
efficiency
towards
proteins.
also
efficient
putative
pharmacoactive
properties
than
commercial
drugs
((R)-remdesivir,
favipiravir
hydroxychloroquine)
used
COVID-19.
conclusion,
our
study
highlights
cheminformatics
approach
unravel
novel
may
safer
use,
more
harmful.
This
value
products
search
new
identifies
candidates
with
great
promise.
Molecular Diversity,
Год журнала:
2024,
Номер
unknown
Опубликована: Авг. 22, 2024
New
and
facile
one-pot
approach
for
the
syntheses
of
12
derivatives
3,5-disubstituted
furane-2(5H)-one
(4a-l)
from
easily
available
starting
materials.
The
suitable
synthetic
procedures
selective
synthesis
diverse
were
achieved
via
multi-component
condensation
1,3-diphenyl-1H-pyrazole-4-carbaldehyde
(1),
pyruvic
acid
different
aromatic
amines
3a-l
in
good
to
high
yields
short
reaction
time
by
refluxing
acetic
as
well
obtained
another
method
(method
B)
when
unsaturated
arylidene
6
was
refluxed
with
but
smaller
yield
than
A.
Structures
prepared
compounds
elucidated
elemental
analysis
spectral
data
mass,
IR,
