International Journal of Latest Engineering and Management Research (IJLEMR),
Journal Year:
2023,
Volume and Issue:
8(9), P. 10 - 20
Published: Sept. 20, 2023
Tacrolimus,
sirolimus,
and
ascomycin
are
macrolides
related
to
a
decrease
in
the
occurrence
severity
of
refractory
rejection
episodes
other
diseases,
such
as
skin
eyes.The
determination
optimum
initial
sources
carbon
nitrogen
medium
is
an
essential
step
optimizing
fermentation
process
obtain
these
drugs.The
current
research
proposes
innovative
technique
selection
criteria
culture
media
sources.The
concept
analogy
group
contribution
from
thermodynamics
identify
molecular
fragments.Tacrolimus,
sirolimus
structures
results
were
analyzed.This
approach
can
enhance
productivity
important
immunosuppressants.
Journal of Taibah University for Science,
Journal Year:
2024,
Volume and Issue:
19(1)
Published: Dec. 19, 2024
Coumarin
derivatives
(CDs)
possess
diverse
pharmacological
properties,
but
their
antidiabetic
potential
is
not
fully
explored.
In
this
perspective,
we
selected
108
plant-derived
CDs
and
investigated
potency,
taking
a
panel
of
putative
targets:
AKT1,
ACACB,
CDK4,
α-amylase,
GLUT1,
PTP1B
in
computer-aided
drug
design
(CADD)
platform.
addition,
predicted
toxicity,
pharmacokinetics,
bioavailability,
ability
profiles
CDs.
Further,
molecular
dynamics
(MD)
simulations
were
employed
to
observe
the
dynamic
behaviour
two
(sanandajin
or
SANA,
sinkianone
SINK)
standards
(glimepiride
G
resveratrol
RESV)
with
AKT1
at
100
nanoseconds.
Overall,
findings
reveal
that
SANA
SINK
exhibited
stronger
binding
affinities
than
lesser
toxicity
favorable
drug-ability
use
as
bioactive
therapeutic
agents
for
management
diabetics.
The
systematic
CADD
analyses
are
able
locate
encourage
further
experimental
studies
mainstream
applications.
International Journal of experimental research and review,
Journal Year:
2023,
Volume and Issue:
36, P. 156 - 165
Published: Dec. 30, 2023
The
current
climate
change
and
pollution
scenario
has
invariably
increased
the
abiotic
stress
of
salinity,
heavy
metals,
temperature
on
plants.
Abiotic
impacts
plant's
defense
system,
impacting
crop's
growth,
yield,
productivity.
present
investigation
emphasised
antioxidant
ability
Macrotyloma
uniflorum
under
nickel
which
forms
a
major
part
mechanism.
It
intricately
evaluates
activities
M.
with
respect
to
different
Nickel
doses.
system
plants
includes
enzymes
including
super
oxide
dismutase
(SOD),
catalase
(CAT),
peroxidase
(POX),
glutathione
(GPX),
dehyrdoascorbate
reductase
(DHAR).
These
act
as
scavengers
ameliorate
free
radicals
cellular
metabolism
produces.
Therefore,
study
gives
comprehensive
understanding
enzymatic
special
reference
role
each
enzyme
in
response
stress,
especially
nickel.
By
studying
isozyme
pattern
these
enzymes,
we
can
compute
very
detailed
manner.
Different
concentrations
Ni
range
25
ppm
125
were
taken
find
optimum
concentration
for
its
activities.
SOD1
was
most
prominent
one
among
all
at
ppm.
intensity
GPX2
black
variety
is
more
100
compared
control.
Thus,
results
obtained
could
be
easily
used
evaluate
minimum
antioxidant.
International Journal of experimental research and review,
Journal Year:
2024,
Volume and Issue:
40(Spl Volume), P. 235 - 244
Published: June 30, 2024
Diabetic
mellitus
(DM)
is
a
chronic
metabolic
disorder,
with
type
2
diabetes
(T2DM)
being
the
most
prevalent
globally.
Despite
availability
of
several
target-specific
drugs,
prevalence
rate
has
remained
uncontrollable,
prompting
systematic
exploration
plant
secondary
metabolites
or
phytochemicals
for
mainstream
use.
Among
all
natural
resources,
citrus
fruits
like
oranges,
lemons,
grapefruits
and
limes
are
rich
sources
flavonoids
get
more
attention
due
to
their
higher
antioxidant,
anti-inflammatory
immunomodulatory
effects.
Additionally,
researchers
have
employed
various
strategies
locate
bioactive
drug-able
from
these
herbal
extracts
use
in
managing
diabetes.
Therefore,
present
study
selected
nine
citrus-fruit-derived
tested
antidiabetic
potency
using
four
target
enzymes:
α-amylase,
AKT
Serine/Threonine
Kinase
1
(AKT1),
dipeptidyl
peptidase-4
(DPP-IV),
glucose
transporter
(GLU1)
through
molecular
docking
studies.
In
addition,
we
predicted
physiochemical
profile,
toxicity,
bioavailability,
lead-likeness,
drug-likeness,
lethal
dose
flavonoids,
along
five
standard
select
potential
candidates.
We
used
AutoDock
4.2
study,
BIOVID-Discovery
Studio
protein-ligand
interaction
SwissADME,
ProTox
3.0
Molsot
tools
predict
drug-likeness
profile.
Individual
average
scores
indicated
that
naringin
(-11.2
-10.40
kcal/mol)
was
potent
flavonoid,
glimepiride
(-11.1
-10.1
against
AKT1
had
among
drugs.
Naringin
non-toxic
profiles,
positive
score,
ideal
physicochemical
which
suggested
it
might
be
best
candidate
further
testing.
To
sum
up,
computer-aided
drug
design
platform
an
important
part
current
discovery
module
accelerate
phyto-based
within
limited
time
resources.
Journal of Biomolecular Structure and Dynamics,
Journal Year:
2024,
Volume and Issue:
unknown, P. 1 - 12
Published: Dec. 28, 2024
Glimepiride
(GLM)
is
one
of
the
potential
antidiabetic
drugs
used
in
clinics
for
a
long
time.
It
currently
combination
with
metformin
along
other
drugs,
but
has
shown
various
complications
patients
from
long-term
use.
Thus,
hypothesis
to
use
lower
dose
GLM
non-toxic
class
flavonoid,
naringin
(NARN),
better
therapy
minimal
side-effects.
Initially,
we
assessed
binding
efficacy
and
NARN
against
nine
putative
target
enzymes
using
AutoDock
4.2
software.
We
also
analysed
drug
chemistry,
drug-ability,
cytotoxicity,
as
well
performed
molecular
dynamic
(MD)
simulation
at
100
ns
individual
states
GROMACS-2022
Both
candidates
showed
higher
efficacy,
especially
AKT-serine/threonine
kinase-1
(AKT1)
enzyme
(−11.85
kcal/mol),
demonstrated
stability
compatibility
AKT1
MD-simulation
(based
on
RMSD,
Rg,
RMSF,
H-bond
plots)
than
form.
The
vitro
cytotoxicity
human
embryonic
kidney
(HEK-293)
cells
suggested
µg/mL
(observed
80%
cell
viability)
further
study.
Alpha-amylase,
alpha-glucosidase,
DPP-IV
inhibition
assays
revealed
that
both
inhibited
up
60%
concentration-dependent
manner.
At
end,
selecting
(2:8
v/v
ratio)
87%
µg/mL.
silico
studies
suggest
investigated
formulation
could
be
diabetics.
bioRxiv (Cold Spring Harbor Laboratory),
Journal Year:
2023,
Volume and Issue:
unknown
Published: Feb. 24, 2023
Abstract
Lichen
planus
(LP)
is
an
autoimmune
disorder
diagnosed
based
on
physical
symptoms
and
lab
tests.
Examples
of
include
flat
bumps,
itchy
purplish
skin,
while
tests
a
shave
biopsy
the
lesion.
When
pathology
report
shows
consistency
with
LP
negative
for
potential
triggers
allergy
test
hepatitis
C,
dermatologist
typically
prescribes
corticosteroid
in
form
pills
or
injection
into
lesion
to
treat
symptoms.
To
understand
molecular
mechanism
disease
thereby
overcome
issues
associated
treatment,
there
need
identify
effective
drugs,
drug
targets,
therapeutic
targets
LP.
Hence,
we
propose
novel
computational
framework
new
constrained
optimization
support
vector
machines
coupled
enrichment
analysis.
First,
downloaded
three
gene
expression
datasets
(GSE63741,
GSE193351,
GSE52130)
pertaining
healthy
patients
from
omnibus
(GEO)
database.
We
then
processed
each
dataset
entered
it
our
select
important
genes.
Finally,
performed
analysis
selected
genes,
reporting
following
results.
Our
methods
outperformed
baseline
terms
identifying
skin
tissue.
Moreover,
5
drugs
(including,
dexamethasone,
retinoic
acid,
quercetin),
45
unique
genes
(including
PSMB8,
KRT31,
KRT16,
KRT19,
KRT17,
COL3A1,
LCE2D,
LCE2A),
23
TFs
NFKB1,
STAT1,
STAT3)
reportedly
related
pathogenesis,
treatments,
targets.
are
publicly
available
GENEvaRX
web
server
at
https://aibio.shinyapps.io/GENEvaRX/
.
International Journal of Latest Engineering and Management Research (IJLEMR),
Journal Year:
2023,
Volume and Issue:
8(9), P. 10 - 20
Published: Sept. 20, 2023
Tacrolimus,
sirolimus,
and
ascomycin
are
macrolides
related
to
a
decrease
in
the
occurrence
severity
of
refractory
rejection
episodes
other
diseases,
such
as
skin
eyes.The
determination
optimum
initial
sources
carbon
nitrogen
medium
is
an
essential
step
optimizing
fermentation
process
obtain
these
drugs.The
current
research
proposes
innovative
technique
selection
criteria
culture
media
sources.The
concept
analogy
group
contribution
from
thermodynamics
identify
molecular
fragments.Tacrolimus,
sirolimus
structures
results
were
analyzed.This
approach
can
enhance
productivity
important
immunosuppressants.
