Exploration and computational assessment of ochrocephalamine G from Oxytropis ochrocephala as an anti-HBV candidate
Journal of Asian Natural Products Research,
Год журнала:
2025,
Номер
unknown, С. 1 - 14
Опубликована: Янв. 10, 2025
Three
compounds,
including
a
novel
quinolizidine
alkaloid,
ochrocephalamine
G
(1),
were
isolated
from
Oxytropis
ochrocephala.
Structural
elucidation
was
achieved
through
spectroscopic
analysis
and
electronic
circular
dichroism.
Biological
assays
showed
that
(100
μM)
inhibited
HBsAg
HBeAg
by
8.28%
16.17%,
respectively.
Computational
studies,
molecular
docking
dynamics
simulations,
revealed
its
binding
mode
with
HBV
core
protein,
providing
solid
foundation
for
developing
O.
ochrocephala
as
an
anti-HBV
therapeutic
agent.
Язык: Английский
Chemoselective synthesis of tunable poly-functionalized binary pyrazolyl and annulated pyrazolo/pyrido anchored on quinolinone: insecticidal and antioxidant studies
RSC Advances,
Год журнала:
2025,
Номер
15(8), С. 6050 - 6067
Опубликована: Янв. 1, 2025
Several
fused/binary
pyrazole
quinolinone
hybrids
are
synthesized
via
tandem
reactions
and
their
insecticidal
efficacy
against
S.
littoralis
A.
gossypii
evaluated.
Язык: Английский
Design, Synthesis, and Antitumor Evaluation of Sophoridine Derivatives as Topoisomerase I Inhibitors Based on the Topomer CoMFA Model
Journal of Molecular Structure,
Год журнала:
2025,
Номер
1335, С. 142005 - 142005
Опубликована: Март 9, 2025
Язык: Английский
Rational Design and Synthesis of Isoxazoline Derivatives with Low Bee-Toxicity Based on Bee GABA Receptors
Journal of Agricultural and Food Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 13, 2025
The
isoxazoline
insecticide,
such
as
fluralaner,
exhibits
strong
insecticidal
activity
against
pests
while
showing
no
cross-resistance.
However,
due
to
its
toxicity
bees,
the
use
of
Fluralaner
is
restricted
in
veterinary
antiparasitic
applications.
Hence,
how
modify
structure
fluralaner
maintain
and
reduce
bees
vital
meaningful.
In
this
study,
a
virtual
screening
11
diamide
substructures
was
conducted
based
on
GABA
receptor
(Apis
mellifera),
four
compounds
with
lower
docking
scores
were
regarded
potential
low
bee
compounds.
Among
them,
compound
Y11
containing
thiophene
diamine
motif
used
lead
compound.
Subsequently,
A1-A16
B1-B11
synthesized
Y11.
Interestingly,
A13
exhibited
LC50
values
1.4
μg/mL
diamondback
moth
(Plutella
xylostella),
outperforming
commercial
insecticide
ethiprole
(LC50
=
2.9
μg/mL).
Furthermore,
9.9
fall
armyworm
(Spodoptera
frugiperda),
also
Fipronil
78.8
Compound
B1
12.4
corn
borer
(Pyrausta
nubilalis),
which
surpassed
that
(30.8
Although
P.
xylostella
S.
frugiperda
not
potent
Fluralaner,
only
1/200
Fluralaner.
Molecular
dynamics
studies
elucidated
interaction
mode
bee.
has
serve
candidate
low-toxicity
alternative
offering
valuable
insights
for
future
design
insecticide.
Язык: Английский
Synthesis and Activity of Novel Pyrazole/Pyrrole Carboxamides Containing a Dinitrogen Six-Membered Heterocyclic as Succinate Dehydrogenase and Ergosterol Biosynthesis Inhibitors against Colletotrichum camelliae
Journal of Agricultural and Food Chemistry,
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 23, 2025
Pyrazole
carboxamide
derivatives
were
initially
extensively
studied
as
succinate
dehydrogenase
inhibitors
(SDHIs).
In
the
present
study,
a
series
of
pyrazole/pyrrole
carboxamides
containing
dinitrogen
six-membered
heterocyclic
designed
based
on
our
reported
active
skeletons
with
dual
mode
action.
Bioactivity
results
showed
that
target
compound
Q18
demonstrated
superior
antifungal
efficacy
against
Colletotrichum
camelliae
(C.
camelliae)
an
EC50
value
6.0
mg/L.
The
in
vivo
protective
activity
was
74.7%
at
100
Scanning
electron
microscopy
and
transmission
could
disrupt
surface
morphology
mycelia
cause
lipid
peroxidation
cell
membrane,
which
further
verified
by
determination
relative
conductivity
malondialdehyde
contents.
Combined
ergosterol
content,
docking
between
SDH
CYP51,
IC50
for
(9.7
mg/L),
it
is
concluded
potential
SDHI
biosynthesis
inhibitor.
Thus,
study
provides
fresh
insight
into
amides.
Язык: Английский
Design, synthesis and Aphicidal activity of novel Pentafluorophenyl derivatives against Brevicoryne brassicae
Tetrahedron Letters,
Год журнала:
2025,
Номер
unknown, С. 155605 - 155605
Опубликована: Апрель 1, 2025
Язык: Английский
Biodegradation of Monocrotophos, Cypermethrin & Fipronil by Proteus myxofaciens VITVJ1: A plant - microbe based remediation
Heliyon,
Год журнала:
2024,
Номер
unknown, С. e37384 - e37384
Опубликована: Сен. 1, 2024
Язык: Английский
Design, Synthesis, and Herbicidal Activity Study of Novel Pyrazole-Carboxamides as Potential Transketolase Inhibitors
Journal of Agricultural and Food Chemistry,
Год журнала:
2024,
Номер
unknown
Опубликована: Дек. 21, 2024
Transketolase
(TKL;
EC
2.2.1.1)
has
been
identified
as
a
potential
new
herbicide
target.
In
order
to
discover
highly
herbicidal
active
compounds
targeting
TKL
and
improve
their
structural
diversity
for
lead
compounds,
series
of
pyrazole-carboxamides
7a–7v
were
designed
synthesized
through
optimization
pyrazole-containing
phenoxy
amide
compound
4u.
Among
the
7r
possessed
excellent
efficacy
against
Digitaria
sanguinalis
(Ds)
Amaranthus
retroflexus
(Ar)
by
small
cup
method
(the
inhibition
about
95%,
100
mg/L)
foliar
spray
over
90%,
150
g
ai/ha)
in
greenhouse,
which
superior
that
positive
control
nicosulfuron.
More
significantly,
displayed
good
crop
selectivity
toward
both
maize
wheat
even
at
375
ai/ha.
The
studies
on
mode
action
(MOA)
high
including
enzyme
activity,
fluorescent
quenching
experiments,
molecular
docking
analysis
between
Setaria
viridis
(Sv)TKL
ligand,
suggested
acts
typical
inhibitor,
benzothiazole
ring
is
an
important
motif
SvTKL
activity.
Above
all,
could
be
candidate
development
herbicides
with
MOA
weed
field.
Язык: Английский