A potential DNA protector, enzyme inhibitor and in silico studies of daucosterol isolated from six Nepeta species
Process Biochemistry,
Journal Year:
2024,
Volume and Issue:
143, P. 234 - 247
Published: May 6, 2024
Language: Английский
Phytochemical analysis of Silybum marianum flowers: Quantitative analysis of natural compounds and molecular docking application
Turkish Journal of Biodiversity,
Journal Year:
2024,
Volume and Issue:
7(1), P. 20 - 31
Published: May 15, 2024
Secondary
metabolites
in
plants,
identifying,
quantifying,
and
determining
the
biological
activity
of
plants
enables
use
different
fields
such
as
pharmacology,
food,
cosmetics.
Different
chromatographic
methods
GC-MS/MS
(volatile
compounds,
fatty
acid)
LC-MS/MS
(phenolic
compounds)
are
used
to
identify
quantify
these
secondary
metabolites.
Silybum
marianum
is
a
member
Asteraceae
family
grows
naturally.
It
known
among
public
by
names
Thistle,
Virgin
Mary
Thorn,
Milky
Kengel.
In
this
study,
S.
hexane
extract
was
analyzed
GC-MS/MS,
methanol-chloroform
(1:1
v/v)
LC-MS/MS.
Palmitic
acid
methyl
ester
(17.96%),
linoleic
(14.20%),
sesquicineole
(10.22%)
were
determined
GC-MS/MS.
Moreover,
analysis
resulted
quantification
chlorogenic
(250.171
µg/g
extract),
salicylic
(234.95
isoquercitrin
(210.65
rutin
(102.05
extract).
According
results,
palmitic
detected
main
components
phenolic
compound
respectively.
Molecular
docking
applied
determine
their
interaction
with
urease
enzyme.
calculated
MolDock
score
-104.63,
-113.21,
binding
energies
-3.70,
-6.50
kcal/mol
may
be
enzyme
inhibitor.
Language: Английский
Phytochemical profiling, molecular docking and ADMET prediction of essential oil of Ocimum basilicum
International Journal of Secondary Metabolite,
Journal Year:
2025,
Volume and Issue:
12(1), P. 146 - 157
Published: Jan. 19, 2025
Essential
oils
are
widely
used
in
pharmacology,
cosmetics,
and
food
industries,
they
also
have
biological
activities
such
as
antioxidant,
anti-inflammatory,
anti-rheumatic,
antimicrobial.
Ocimum
basilicum
(basil)
plant
has
a
rich
content
of
essential
oils.
Hence,
the
stem,
leaf,
flower
parts
O.
were
analyzed
freshly
on
RSH/GC-MS
device
to
determine
oil
content.
As
result
analysis,
α-elemene,
linalool,
eucalyptol
detected
main
components.
It
was
observed
that
highest
linalool
part
at
47.85%,
leaf
44.00%.
Additionally,
it
determined
α-elemene
with
12.49%.
According
analysis
results,
high
amounts
eucalyptol,
detected.
The
inhibitory
properties
these
compounds
against
DNA
gyrase
enzyme
investigated
by
molecular
docking.
MolDock
score
(-78.72,
-47.50,
-88.86)
binding
energy
(2.9,
4.6,
4.0
kcal/mol)
respectively.
ADME/T
molecules
examined;
did
not
show
any
toxic
effects.
result,
compound
may
be
an
inhibitor
enzyme.
In
addition,
can
contribute
economy
obtaining
from
non-consumable
flowers
stem
basil
increasing
its
usability
industries
cleaning,
etc.
Language: Английский
Fruit extracts of Rosa canina L. and Rosa pimpinellifolia L.: Phytochemical profiles, in vitro antioxidant, anti-inflammatory, xanthine oxidase inhibitory effects, and in silico molecular dynamics studies
Kahramanmaraş Sütçü İmam Üniversitesi Tarım ve Doğa Dergisi,
Journal Year:
2025,
Volume and Issue:
28(3), P. 636 - 649
Published: May 1, 2025
In
this
study,
the
phytochemical
and
biological
activities
of
Rosa
canina
(RC)
R.
pimpinellifolia
(RP)
fruit
methanol
extracts
were
investigated.
HPLC
analysis
revealed
that
RP
RC
contained
high
amounts
ascorbic
acid
gallic
as
major
components.
GC-MS/MS
analysis,
oleic
acid,
linoleic
palmitic
methyl
ester
most
abundant
compounds
in
both
extracts.
The
total
phenolic
contents
17.28±0.10
5.19±0,22
mg
GAE/g
extract,
respectively.
DPPH˙
scavenging
(13.45±0.21
µg/mL
for
3.41±0.05
RP)
observed
to
be
higher
than
(42.15±1.35
µg/mL).
reducing
power
capacities
55.57±3.23
87.24±2.44
µg/mL,
According
BSA
denaturation
assay,
anti-inflammatory
effect
was
found
more
effective
at
low
doses
with
DFS
similar
doses.
extract
showed
xanthine
oxidase
(XO)
inhibition
an
IC50
value
2.28±0.25
µg/mL.
binding
affinities
XO
determined
6.20
6.60
kcal/mol,
addition,
molecular
dynamics
simulations
complexes
applied
100
ns
stable.
Binding
energies
by
performing
MM/PBSA,
it
recorded
a
level
21.50
kcal/mol.
way,
constituents
two
different
rosehip
species
compared,
ideas
their
use
food,
cosmetics,
medicine
presented.
Language: Английский
A holistic approach to pharmacological profiling and phytochemical analysis of the endemic Scutellaria orientalis L. subsp. bicolor (Hochst.) J.R.Edm (Lamiaceae)
Genetic Resources and Crop Evolution,
Journal Year:
2025,
Volume and Issue:
unknown
Published: May 9, 2025
Language: Английский
Chemical structure and characterization of bio-oils isolated from walnut shells by different processes
Journal of Scientific Reports-A,
Journal Year:
2024,
Volume and Issue:
057, P. 144 - 152
Published: May 21, 2024
In
this
study,
content
analyses
of
the
products
obtained
by
pyrolysis
and
extraction
walnut
shells
were
performed
with
some
advanced
analytical
methods
such
as
GS-MS,
LC/MS-MS,
FTIR.
LC-MS/MS
analyses.
The
presence
phenolic
compounds
in
liquid
extract
was
determined
using
41
standards.
analysis
results
compared,
it
found
that
type
amount
extracted
more
than
liquid.
As
a
result
standards
investigations,
total
10
liquids
detected
2
these
8
compounds,
catechin
(770.75
µg/g
extract),
hydroxy
benzaldehyde
(140.78
vanillic
acid
(114.95
compounds)
extract.
existence
supported
FTIR
two
different
processes.
By
GC-MS
analysis,
linoleic
methyl
ester
(44.01%),
stearic
(14.93%),
palmitic
(24.67%),
linolenic
shell
showed
(18.97%),
(18.10%),
o-xylene
(12.17%),
o-ethyl
toluene
(8.14%)
formed
pyrolysis.
findings
revealed
product
contain
very
phenolic,
acid,
compounds.
A
concrete
about
use
study
areas.
Language: Английский
Lavandula Stoechas extract; Synthesis of Silver Nanoparticles (Nature-Friendly Green Synthesis Method), Characterization, Antimicrobial Activity and In Silico Molecular Docking Study
Current Perspectives on Medicinal and Aromatic Plants (CUPMAP),
Journal Year:
2024,
Volume and Issue:
unknown
Published: May 10, 2024
Nanoparticles
are
structures
that
applicable
to
a
wide
range
of
fields.
The
most
significant
characteristic
these
is
their
structural
and
dimensional
diversity,
which
varies
the
synthesis
process
based
on
area
will
be
incorporated
into
several
sections.
Although
there
other
synthetic
techniques,
green
technique
often
used.
By
employing
only
natural
processes
instead
chemicals,
this
method
synthesizes
products
leaving
no
by-products.
also
highly
preferred
as
it
affordable.
In
respect,
approach
was
utilized
in
study
investigate
characteristics,
phytochemical
content,
evaluate
antibacterial
activity
silver
nanoparticles
from
black
pepper
(Lavandula
stoechas),
commonly
used
sweetener
food
beverages.
Furthermore,
theoretical
investigation
conducted
glucosamine-6-phosphate
synthase
inhibitory
characteristics
resveratrol
molecule,
identified
main
constituent
HPLC
outcome.
Characterization
tools
like
FT-IR,
UV-Vis,
fluorescence
spectroscopy
were
employed.
content
examined
by
HPLC.
Language: Английский
Phytochemical content and in silico molecular docking studies of A. biebersteinii and A. millefolium plants
Bütünleyici ve Anadolu Tıbbı Dergisi,
Journal Year:
2024,
Volume and Issue:
5(2), P. 10 - 24
Published: Aug. 30, 2024
The
genus
Achillea
L.
belongs
to
Asteraceae,
the
largest
family
of
vascular
plants.
species
is
a
medicinal
plant
widely
used
in
traditional
medicine
due
bioactive
compounds
it
contains
that
are
distributed
worldwide.
In
this
study,
we
aimed
examine
biological
activity
potential
plants
by
analyzing
phytochemical
content
two
growing
on
land
Iğdır
University
campus.
volatile
and
phenolic
contents
flower,
stem-leaf
parts
A.
biebersteinii
millefolium
harvested
different
periods
were
determined
chromatographic
methods
(GC-MS/MS
LC-MS/MS).
As
result
GC-MS
analysis,
was
observed
presence
high
levels
eucalyptol
(43.22%)
harvest
time
dramatically
changed
rates
components
LC-MS/MS
analysis
showed
main
constituent
all
materials
chlorogenic
acid.
addition,
component,
acid
interactions
with
xanthine
oxidase
enzyme
silico
molecular
docking.
Chlorogenic
interaction
calculated
binding
energies
(-8.0
kcal/mol)
MolDock
score
(-130.96).
Language: Английский
A Novel Approach For The Evaluation Of Bio-Oils Obtained From Chestnut Shells By Different Processes
Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi,
Journal Year:
2024,
Volume and Issue:
14(4), P. 1636 - 1644
Published: Oct. 1, 2024
In
this
study,
the
contents
of
both
extraction
liquid
and
pyrolysis
products
chestnut
shells
were
characterized
using
Gas
Chromatography-Mass
Spectrometry
(GC-MS),
Liquid
(LC/MS-MS)
Fourier
Infrared
Spectroscopy
(FT-IR).
LC-MS/MS
analyses;
sample
samples
obtained
from
different
processes
determined
41
phenolic
standards.
The
results
analysis
showed
that
type
amount
compounds
in
extract
significantly
higher
than
those
liquid.
According
to
results,
very
valuable
such
as
catechin
(2526.96
µg/g
extract),
gallic
acid
(175.02
protocatechuic
(76.47
extract)
high
amounts.
FTIR
by
two
was
performed.
GC-MS
revealed
stearic
methyl
ester
(28.78%),
palmitic
(27.81%)
o-xylene
(9.29%)
extract.
However,
amounts
linoleic
acid,
(32.45%),
(23.06%)
linolenic
oleic
(11.32%)
detected
compared
normal
content.
All
these
findings
show
processing
method
physicochemical
conditions
are
important
obtaining
organic
acids
plant
bark.
Language: Английский
DNA protection, molecular docking, molecular dynamic, enzyme inhibition, and kinetics studies of apigenin isolated from Nepeta baytopii Hedge & Lamond by bioactivity-guided fractionation
Journal of Biomolecular Structure and Dynamics,
Journal Year:
2024,
Volume and Issue:
unknown, P. 1 - 12
Published: Dec. 18, 2024
Plant-derived
bioactive
substances
have
demonstrated
significant
qualities
that
suggest
they
may
be
crucial
in
preventing
various
chronic
diseases.
Flavonoids,
which
include
apigenin,
are
the
biggest
group
of
polyphenols.
In
our
study,
we
aimed
to
obtain
methanol-chloroform
(1:1)
extract
from
aerial
parts
Language: Английский