ChemistrySelect,
Journal Year:
2023,
Volume and Issue:
8(45)
Published: Dec. 1, 2023
Abstract
Novel
1‐(ethyl/methyl)‐7‐(
p
‐methoxybenzyl
amino)
and
7‐amino‐6‐fluoroquinolone‐boron
difluoride
complexes
were
synthesized,
their
biological
activity
was
studied,
comparing
the
influence
of
nature
7‐substituent
as
well
N
‐1
substituent.
The
quinolone
compounds
characterized
by
IR,
UV‐Vis,
1
H,
13
C{
H}
19
F{
NMR,
mass
spectrometry.
antiproliferative
effect
new
fluoroquinolone‐boron
in
breast
cancer
(BC)
derived
cell
lines
MCF‐7
SKBR‐3
investigated.
Compounds
9
b
a
showed
cells,
,
11
7
7b
8
similar
effects
cells.
Derivatives
with
amino
moieties
at
C‐7
an
ethyl
or
methyl
group
fluoroquinolone
ring
(
)
more
efficient
both
lines.
In
addition,
8‐nitro
to
improved
against
proliferation.
These
represent
potential
drug
candidates
for
treatment.
Current Microbiology,
Journal Year:
2024,
Volume and Issue:
81(12)
Published: Oct. 26, 2024
Drug
repurposing,
also
known
as
drug
repositioning,
is
a
currently
tested
approach
by
which
new
uses
are
being
assigned
for
already
drugs.
In
this
case
there
antibiotics
that
used
to
combat
bacterial
infections.
However,
among
the
drugs
have
been
studied
possible
antiviral
activities.
Therefore,
aim
of
work
carry
out
review
studies
could
be
repositioned
treatment
viral
Among
main
demonstrated
activity
macrolides
and
glycopeptides.
addition,
several
from
group
tetracyclines,
fluoroquinolones,
cephalosporins
aminoglycosides
their
activity.
These
against
both
RNA
DNA
viruses,
including
recent
pandemic
virus
SARS-CoV-2.
Some
these
were
selected
in
addition
its
immunomodulatory
anti-inflammatory
properties.
Of
present
activity,
many
cases
mechanisms
action
not
exactly
known.
The
use
infections
remains
controversial
generally
accepted,
since
clinical
trials
required
prove
effectiveness.
no
antibiotic
approved
therapy.
Hence
necessary
carried
on
can
future
New Journal of Chemistry,
Journal Year:
2023,
Volume and Issue:
47(34), P. 15973 - 15986
Published: Jan. 1, 2023
Maslinic
acid-
and
oleanolic
acid-based
hyrids
with
potent
antibacterial
antibiofilm
activities
were
designed
semi-synthesized
from
pentacyclic
triterpene
acids
isolated
olive
oil
manufacturing
solid
waste.
Acta Crystallographica Section E Crystallographic Communications,
Journal Year:
2023,
Volume and Issue:
79(3), P. 192 - 200
Published: Feb. 21, 2023
The
title
compound,
C
30
H
33
N
4
O
2
F,
can
be
obtained
via
a
two-step
synthetic
scheme
involving
1-benzyl-6-fluoro-4-oxo-7-(piperidin-1-yl)-1,4-dihydroquinoline-3-carbonitrile
as
starting
compound
that
undergoes
substitution
with
hydroxylamine
and
subsequent
cyclization
4-methylcyclohexane-1-carboxylic
acid.
It
crystallizes
from
2-propanol
in
the
triclinic
space
group
P
\overline{1}
molecule
of
one
asymmetric
unit.
After
molecular
structure
was
clarified
using
NMR
LC/MS,
crystalline
arrangements
were
defined
SC-XRD.
A
Hirshfeld
surface
analysis
performed
for
better
understanding
intermolecular
interactions.
One
strong
(O—H...O)
three
weak
[C—H...F
(intramolecular)
two
C—H...O]
hydrogen
bonds
found.
contributions
short
contacts
to
estimated
two-dimensional
fingerprint
plots
showing
O...H/H...O,
C...H/H...C
C...C
are
most
significant
O...H
2-propanol.
crystal
appears
have
isotropically
packed
tetramers
containing
molecules
building
unit
according
distribution
pairwise
interaction
energies.
docking
study
carried
out
evaluate
interactions
active
centers
macromolecules
corresponding
viral
targets,
namely,
anti-hepatitis
B
activity
[HBV,
capsid
Y132A
mutant
(VCID
8772)
PDB
ID:
5E0I]
anti-COVID-19
main
protease
(PDB
6LU7).
data
revealed
noticeable
affinity
towards
them
exceeded
reference
ligands.
ChemistrySelect,
Journal Year:
2024,
Volume and Issue:
9(45)
Published: Nov. 26, 2024
Abstract
Our
study
predicts
potential
inhibitors
targeting
nucleophilic
catalytic
dyed
residues
H41
and
C145
of
M
pro
WT
omicron
(M
O)
following
drug
designing
method
protocols.
Docking
studies
were
used
to
find
potent
efficient
that
can
compete
with
ATP
for
binding
a
particular
target
protein
location.
Both
proteins'
structures
docked
against
library
cephalosporin
derivatives,
is,
are
predicted
energy
(ΔG
bind‐PB)
in
range
−11.501
−14.8396
kcal/mol.
It
has
been
discovered
several
kinds
residues,
particularly
His41,
Cys145,
Gly143,
Gln189,
His132,
Gln109,
necessary
the
continual
existence
active
pocket.
DFT
also
carried
out
calculate
optimized
geometries,
energies
HOMO–LUMO,
MEP,
global
chemical
reactivity
descriptors
obtained.
In
addition,
1
H‐NMR
shift
compounds
was
calculated
using
GIAO
method;
shifts
molecules
good
agreement
experimental
value.
this
series,
compound
3N
lowest
∆E
value
(3.31
eV)
3C
highest
(3.66
showing
them
most
least
reactive,
respectively.
According
research,
these
ligands
appear
have
bright
future
as
SARS‐CoV‐2
treatment
drugs.
Journal of Medicine and Life,
Journal Year:
2024,
Volume and Issue:
17(9), P. 840 - 847
Published: Sept. 1, 2024
Acyclovir
is
an
established
antiviral
agent.
The
global
emergence
of
the
coronavirus
disease
2019
(COVID-19)
pandemic
brought
forth
necessity
to
investigate
potential
therapeutic
attributes
existing
drugs,
including
acyclovir,
combat
this
novel
virus.
primary
focus
research
was
assess
theoretical
bioactivities
acyclovir
derivatives
and
evaluate
their
molecular
docking
capacities,
thereby
determining
prospective
application
in
treating
COVID-19.
A
set
22
ligand
molecules
derived
from
were
carefully
selected
for
study.
Using
one-click
technique,
these
underwent
interactions
with
specific
proteins
sourced
Protein
Data
Bank,
identified
by
IDs
1R4L,
1S49,
1AJ6,
1PVG.
analysis
revealed
that
no.
3,
5,
8,
14
displayed
highest
scores
could
be
candidates
as
agents
against
COVID-19
based
on
scores.
Further
experimental
validations
are
essential
establish
efficacy
clinical
settings.
ChemistrySelect,
Journal Year:
2023,
Volume and Issue:
8(45)
Published: Dec. 1, 2023
Abstract
Novel
1‐(ethyl/methyl)‐7‐(
p
‐methoxybenzyl
amino)
and
7‐amino‐6‐fluoroquinolone‐boron
difluoride
complexes
were
synthesized,
their
biological
activity
was
studied,
comparing
the
influence
of
nature
7‐substituent
as
well
N
‐1
substituent.
The
quinolone
compounds
characterized
by
IR,
UV‐Vis,
1
H,
13
C{
H}
19
F{
NMR,
mass
spectrometry.
antiproliferative
effect
new
fluoroquinolone‐boron
in
breast
cancer
(BC)
derived
cell
lines
MCF‐7
SKBR‐3
investigated.
Compounds
9
b
a
showed
cells,
,
11
7
7b
8
similar
effects
cells.
Derivatives
with
amino
moieties
at
C‐7
an
ethyl
or
methyl
group
fluoroquinolone
ring
(
)
more
efficient
both
lines.
In
addition,
8‐nitro
to
improved
against
proliferation.
These
represent
potential
drug
candidates
for
treatment.
