Efficient analysis of the toxicity and mechanisms of Hexaconazole and two other triazole fungicides: insights from integrated network toxicology, molecular docking and bioinformatics data
Abstract
Background:
The
safety
of
food
grains
is
crucial
for
human
health.
Hexaconazole,
Propiconazole,
and
Prothioconazole
are
widely
used
triazole
fungicides
primarily
employed
in
agriculture
the
control
plant
diseases,
aiming
to
enhance
crop
yield
quality.
Objective:
This
research
aims
elucidate
potential
toxic
targets
underlying
molecular
mechanisms
brain
liver
damage
induced
by
exposure
three
through
network
toxicology
combined
with
docking
bioinformatics
data
analysis.
Method
results:
Toxicity
analysis
ADMETlab
database
showed
that
toxicity
was
mainly
associated
neurotoxicity
injury.
Systematically
utilizing
GeneCards,
OMIM
other
databases
Cytoscape
tools,
we
identified
core
(including
EGFR ,
CASP3 ,
ESR1 ,
PPARG ,
TP53 ,
HSP90AA1 ,
PTGS2 )
injury
or
GO
KEGG
enrichment
analyses
indicate
these
pathways
related
cancer,
PI3K-Akt
signaling
pathway,
organic
cyclic
compounds,
nitrogen
compounds.
Molecular
simulations
conducted
using
AutoDock
confirmed
high-affinity
binding
interactions
between
key
target
proteins.
Conclusions:
study
provides
a
theoretical
foundation
understanding
hepatotoxicity
Prothioconazole,
while
establishing
foundational
framework
development
prevention
treatment
strategies
pesticide-associated
injuries.
Our
findings
underscore
risks
pesticides
pose
health,
highlighting
need
further
epidemiological
clinical
future.
Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown
Published: Oct. 29, 2024
Language: Английский