Journal of Proteome Research,
Год журнала:
2020,
Номер
19(11), С. 4576 - 4586
Опубликована: Июнь 17, 2020
SARS-CoV-2
has
caused
the
largest
pandemic
of
twenty-first
century
(COVID-19),
threatening
life
and
economy
all
countries
in
world.
The
identification
novel
therapies
vaccines
that
can
mitigate
or
control
this
global
health
threat
is
among
most
important
challenges
facing
biomedical
sciences.
To
construct
a
long-term
strategy
to
fight
both
other
possible
future
threats
from
coronaviruses,
it
critical
understand
molecular
mechanisms
underlying
virus
action.
viral
entry
associated
infectivity
stems
formation
spike
protein
complex
with
angiotensin-converting
enzyme
2
(ACE2).
detection
putative
allosteric
sites
on
molecule
be
used
elucidate
pathways
targeted
drugs
weaken
spike-ACE2
interaction
and,
thus,
reduce
infectivity.
In
study,
we
present
results
application
different
computational
methods
aimed
at
detecting
protein.
adopted
tools
consisted
contact
networks
(PCNs),
SEPAS
(Affinity
by
Flexibility),
perturbation
response
scanning
(PRS)
based
elastic
network
modes.
All
these
were
applied
ACE2
SARS-CoV2
SARS-CoV
proteins.
analyses
converged
toward
specific
region
(allosteric
modulation
[AMR]),
complexes
predicted
act
as
an
site
modulating
binding
ACE2.
Preliminary
hepcidin
(a
strong
structural
sequence
AMR)
indicated
inhibitory
effect
affinity
Nature Communications,
Год журнала:
2022,
Номер
13(1)
Опубликована: Июль 25, 2022
Despite
the
promise
of
immune
checkpoint
inhibition
(ICI),
therapeutic
responses
remain
limited.
This
raises
possibility
that
standard
care
treatments
delivered
in
concert
may
compromise
tumor
response.
To
address
this,
we
employ
tobacco-signature
head
and
neck
squamous
cell
carcinoma
murine
models
which
map
tumor-draining
lymphatics
develop
for
regional
lymphablation
with
surgery
or
radiation.
We
find
eliminates
ICI
response,
worsening
overall
survival
repolarizing
tumor-
peripheral-immune
compartments.
Mechanistically,
within
lymphatics,
observe
an
upregulation
conventional
type
I
dendritic
cells
interferon
signaling
show
both
are
necessary
response
lost
lymphablation.
Ultimately,
provide
a
mechanistic
understanding
how
oncologic
therapies
targeting
impact
to
immune-oncology
therapy
order
define
rational,
lymphatic-preserving
treatment
sequences
mobilize
systemic
antitumor
immunity,
achieve
optimal
responses,
control
metastatic
disease,
confer
durable
immunity.
ACS Nano,
Год журнала:
2023,
Номер
17(13), С. 12903 - 12914
Опубликована: Июнь 29, 2023
The
urgent
necessity
for
highly
sensitive
diagnostic
tools
has
been
accentuated
by
the
ongoing
mpox
(monkeypox)
virus
pandemic
due
to
complexity
in
identifying
asymptomatic
and
presymptomatic
carriers.
Traditional
polymerase
chain
reaction-based
tests,
despite
their
effectiveness,
are
hampered
limited
specificity,
expensive
bulky
equipment,
labor-intensive
operations,
time-consuming
procedures.
In
this
study,
we
present
a
clustered
regularly
interspaced
short
palindromic
repeats
(CRISPR)/Cas12a-based
platform
with
surface
plasmon
resonance-based
fiber
tip
(CRISPR-SPR-FT)
biosensor.
compact
CRISPR-SPR-FT
biosensor,
125
μm
diameter,
offers
high
stability
portability,
enabling
exceptional
specificity
diagnosis
precise
identification
of
samples
fatal
mutation
site
(L108F)
Scientific Reports,
Год журнала:
2020,
Номер
10(1)
Опубликована: Авг. 17, 2020
Abstract
The
Coronavirus
disease
2019
(COVID-19)
is
an
infectious
caused
by
the
severe
acute
respiratory
syndrome-coronavirus
2
(SARS-CoV-2).
virus
has
rapidly
spread
in
humans,
causing
ongoing
pandemic.
Recent
studies
have
shown
that,
similarly
to
SARS-CoV,
SARS-CoV-2
utilises
Spike
glycoprotein
on
envelope
recognise
and
bind
human
receptor
ACE2.
This
event
initiates
fusion
of
viral
host
cell
membranes
then
entry
into
cell.
Despite
several
clinical
studies,
there
are
currently
no
approved
vaccines
or
drugs
that
specifically
target
SARS-CoV-2.
Until
effective
vaccine
available,
repurposing
FDA
could
significantly
shorten
time
reduce
cost
compared
de
novo
drug
discovery.
In
this
study
we
attempted
overcome
limitation
silico
virtual
screening
applying
a
robust
strategy.
We
combined
integrated
docking
simulations,
with
molecular
dynamics
(MD),
Supervised
MD
(SuMD)
Steered
(SMD)
simulations
identify
protein
–
ACE2
interaction
inhibitor.
Our
data
showed
Simeprevir
Lumacaftor
receptor-binding
domain
high
affinity
prevent
interaction.
Cancer Communications,
Год журнала:
2021,
Номер
41(10), С. 981 - 1006
Опубликована: Июль 20, 2021
Oral
squamous
cell
carcinoma
(OSCC),
the
eighth
most
prevalent
cancer
in
world,
arises
from
interaction
of
multiple
factors
including
tobacco,
alcohol
consumption,
and
betel
quid.
Chemotherapeutic
agents
such
as
cisplatin,
5-fluorouracil,
paclitaxel
have
now
become
first-line
options
for
OSCC
patients.
Nevertheless,
patients
eventually
acquire
drug
resistance,
leading
to
poor
prognosis.
With
discovery
identification
non-coding
RNAs
(ncRNAs),
functions
dysregulated
ncRNAs
development
resistance
are
gradually
being
widely
recognized.
The
mechanisms
intricate
involve
efflux,
epithelial-mesenchymal
transition,
DNA
damage
repair,
autophagy.
At
present,
strategies
explore
reversal
need
be
urgently
developed.
Nano-delivery
self-cellular
delivery
platforms
considered
effective
overcome
due
their
tumor
targeting,
controlled
release,
consistent
pharmacokinetic
profiles.
In
particular,
combined
application
new
technologies
(including
CRISPR
systems)
opened
up
horizons
treatment
OSCC.
Hence,
this
review
explored
emerging
regulatory
OSCC,
elucidated
ncRNA-meditated
discussed
potential
value
using
nanoparticles
self-cells
carriers
The Journal of Physical Chemistry B,
Год журнала:
2020,
Номер
124(44), С. 9785 - 9792
Опубликована: Окт. 23, 2020
Over
50
peptides,
which
were
known
to
inhibit
SARS-CoV-1,
computationally
screened
against
the
receptor-binding
domain
(RBD)
of
spike
protein
SARS-CoV-2.
Based
on
binding
affinity
and
interaction,
15
peptides
selected,
showed
higher
compared
α-helix
human
ACE2
receptor.
Molecular
dynamics
simulation
demonstrated
that
two
S2P25
S2P26,
most
promising
candidates,
could
potentially
block
entry
Tyr489
Tyr505
residues
present
in
"finger-like"
projections
RBD
found
be
critical
for
peptide
interaction.
Hydrogen
bonding
hydrophobic
interactions
played
important
roles
prompting
peptide-protein
Structure-activity
relationship
indicated
containing
aromatic
(Tyr
Phe),
nonpolar
(Pro,
Gly,
Leu,
Ala),
polar
(Asn,
Gln,
Cys)
significant
contributors.
These
findings
can
facilitate
rational
design
selective
inhibitors
targeting
