Nanoparticles of Natural Product-derived Medicines: Beyond the Pandemic
Heliyon,
Journal Year:
2025,
Volume and Issue:
11(4), P. e42739 - e42739
Published: Feb. 1, 2025
This
review
explores
the
synergistic
potential
of
natural
products
and
nanotechnology
for
viral
infections,
highlighting
key
antiviral,
immunomodulatory,
antioxidant
properties
to
combat
pandemics
caused
by
highly
infectious
viruses.
These
often
result
in
severe
public
health
crises,
particularly
affecting
vulnerable
populations
due
respiratory
complications
increased
mortality
rates.
A
cytokine
storm
is
initiated
when
an
overload
pro-inflammatory
cytokines
chemokines
released,
leading
a
systemic
inflammatory
response.
Viral
mutations
limited
availability
effective
drugs,
vaccines,
therapies
contribute
continuous
transmission
virus.
The
coronavirus
disease-19
(COVID-19)
pandemic
has
sparked
renewed
interest
product-derived
antivirals.
efficacy
traditional
medicines
against
infections
examined.
Their
anti-inflammatory,
are
highlighted.
discusses
how
enhances
herbal
combating
infections.
Language: Английский
Exploring the Interaction of RBD with Human β Defensin Type 2 Point Mutants: Insights from Molecular Dynamics Simulations
The Journal of Physical Chemistry B,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Feb. 10, 2025
The
global
health
crisis
triggered
by
the
SARS-CoV-2
virus
has
highlighted
urgent
need
for
effective
treatments.
As
existing
drugs
are
not
specifically
targeted
at
this
virus,
there
is
a
growing
interest
in
exploring
natural
antimicrobial
peptides
such
as
defensin
potential
therapeutic
options.
Human
β
type
2
(hBD-2),
which
cationic
cysteine-rich
peptide,
serves
initial
barrier
against
bacterial
and
fungal
invaders
mammals.
It
can
bind
with
Spike-RBD
occupy
same
site
ACE2
receptor,
thereby
hindering
viral
entry
into
cells
expressing
ACE2.
To
explore
effect
of
different
point
mutations
on
binding
hBD-2
RBD,
dynamics
interactions
between
mutants
RBD
were
studied
compared
that
RBD&hBD-2
wild-type
complex.
In
total,
247
built
mutation
sites
region
(RES18-30)
CoV-2.
All-atom
molecular
simulations
carried
out
mutants.
Analysis
based
root-mean-square
deviation
(RMSD),
hydrogen
bonds
analysis,
free
energy
using
MM/PBSA
method
revealed
many
exhibit
weaker
to
wild
type;
however,
subset
mutants,
including
C20I,
C20K,
R22W,
R23H,
R23L,
Y24L,
K25F,
K25H,
G28Y,
T29R,
C30K,
displayed
enhanced
RBD.
findings
offer
insights
designing
hBD-2-based
novel
combat
long
term.
Language: Английский
Unraveling Extremely Damaging IRAK4 Variants and Their Potential Implications for IRAK4 Inhibitor Efficacy
Journal of Personalized Medicine,
Journal Year:
2023,
Volume and Issue:
13(12), P. 1648 - 1648
Published: Nov. 26, 2023
Interleukin-1-receptor-associated
kinase
4
(IRAK4)
possesses
a
crucial
function
in
the
toll-like
receptor
(TLR)
signaling
pathway,
and
dysfunction
of
this
molecule
could
lead
to
various
infectious
immune-related
diseases
addition
cancers.
IRAK4
genetic
variants
have
been
linked
types
diseases.
Therefore,
we
conducted
comprehensive
analysis
recognize
missense
with
most
damaging
impacts
on
employment
diverse
bioinformatics
tools
study
single-nucleotide
polymorphisms'
effects
function,
stability,
secondary
structures,
3D
structure.
The
residues'
location
protein
domain
their
conservation
status
were
investigated
as
well.
Moreover,
docking
along
structural
biology
engaged
analyzing
SNPs'
one
developed
inhibitors.
By
gene
SNPs,
distinguished
ten
detrimental
variants.
All
situated
highly
conserved
positions
an
important
domain.
L318S
L318F
mutations
changes
structures.
Eight
SNPs
revealed
decreasing
effect
stability
via
both
I-Mutant
2.0
Mu-Pro
tools,
while
tool
identified
for
G198E
SNP.
In
addition,
structure
also
discovered
selected
Molecular
modeling
studies
highlighted
impact
these
SNP
mutant
residues
druggability
ATP-binding
site
towards
known
target
inhibitor,
HG-12-6,
compared
native
protein.
loss
ligand
residue-wise
contacts,
altered
global
flexibility,
increased
steric
clashes,
even
electronic
penalties
at
ligand-binding
interfaces
all
suggested
be
associated
models
hampering
HG-12-6
affinity
This
given
model
lays
foundation
better
prediction
disorders
relevant
malfunction
sheds
light
deleterious
inhibitor
efficacy.
Language: Английский
Mannose-binding lectin gene polymorphism in psoriasis and vitiligo: an observational study and computational analysis
Frontiers in Medicine,
Journal Year:
2024,
Volume and Issue:
10
Published: Feb. 9, 2024
Introduction
Psoriasis
and
vitiligo
are
inflammatory
autoimmune
skin
disorders
with
remarkable
genetic
involvement.
Mannose-binding
lectin
(MBL)
represents
a
significant
immune
molecule
one
of
its
gene
variants
strongly
linked
to
diseases.
Therefore,
in
this
study,
we
investigated
the
role
MBL
variant,
rs1800450,
psoriasis
disease
susceptibility.
Methods
The
study
comprised
performing
silico
analysis,
an
observational
regarding
patients,
patients.
Various
tools
were
used
investigate
impact
selected
mutation
on
function,
stability,
post-translational
modifications
(PTMs),
secondary
structures
protein.
In
addition,
total
489
subjects
enrolled
including
their
demographic
clinicopathological
data.
Genotyping
analysis
was
performed
using
real-time
PCR
for
single
nucleotide
polymorphism
(SNP)
rs1800450
codon
54
gene,
utilizing
TaqMan
genotyping
technology.
implications
studied
variant
susceptibility
various
data
analyzed.
Results
Computational
demonstrated
anticipated
effects
Furthermore,
studies,
SNP
displayed
comparable
results
our
population
relative
global
frequencies
reported
via
1,000
Genomes
Project.
This
showed
no
association
either
or
risk
all
models.
did
not
significantly
correlate
any
features
both
vitiligo.
Discussion
Our
findings
highlighted
that
MBL2
has
diseases,
such
as
vitiligo,
among
Egyptian
advocated
notion
redundancy
revealed
lack
disorders.
Language: Английский
In vivo determination of analgesic and anti-inflammatory activities of isolated compounds from Cleome amblyocarpa and molecular modelling for the top active investigated compounds
Mayada M. El-Ayouty,
No information about this author
Nermeen A. Eltahawy,
No information about this author
Ahmed M. Abd EL-sameaa
No information about this author
et al.
RSC Advances,
Journal Year:
2024,
Volume and Issue:
14(34), P. 24503 - 24515
Published: Jan. 1, 2024
Cleome
amblyocarpa
Barr.
and
Murb.
from
the
family
Cleomaceae
is
used
in
folk
medicine
as
it
has
analgesic,
anti-inflammatory,
antibacterial
antioxidant
activities.
Language: Английский