Molecular docking‐guided in‐depth investigation of the biological activities and phytochemical and mineral profiles of endemic Phlomis capitata
Journal of the Science of Food and Agriculture,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 29, 2025
Abstract
BACKGROUND
Phlomis
capitata
is
an
endemic
species
of
flowering
aromatic
and
medicinal
plant
in
the
family
Lamiaceae,
native
to
regions
Mediterranean
nearby
areas.
Understanding
chemical
compounds
present
P.
can
reveal
potential
properties.
The
study
examines
quantification
bioactive
phytochemicals,
antioxidant
capacity
enzyme
inhibitory
evaluation
extract
against
key
enzymes
involved
pathogenesis
Alzheimer's,
diabetes
mellitus,
epilepsy
glaucoma
for
first
time.
mechanisms
inhibition
activity
predominant
were
also
interpreted
by
molecular
docking
studies.
Chemical
characterization
was
performed
liquid
chromatography‐tandem
mass
spectrometry
(LC‐MS/MS)
(phytochemical
profile)
inductively
coupled
plasma‐mass
(mineral
composition)
analysis.
Furthermore,
binding
interactions
major
phytochemicals
with
all
investigated
RESULTS
LC‐MS/MS
analysis
revealed
identification
19
predominated
quinic
acid
(4.883
mg
g
−1
),
followed
chlorogenic
(4.36
vanilic
(3.405
naringenin
(2.571
)
cyranoside
(1.101
).
It
determined
that
mineral
element
rich
(K,
Ca,
Al
Mg)
did
not
exceed
toxicity
limits.
demonstrated
remarkable
activities
order:
2,2′‐azino‐
bis
(3‐ethylbenzothiazoline‐6‐sulfonic
(IC
50
:
20.533
μg
mL
<
2,2‐diphenyl‐1‐picrylhydrazyl
23.151
N
,
‐dimethyl‐
p
‐phenylenediamine
45.221
cupric
reducing
(0.889
Fe
3+
(0.969
ferric
potency
(0.974
Moreover,
assays
(acetylcholinesterase,
butyrylcholinesterase,
α
‐amylase,
‐glucosidase,
human
carbonic
anhydrases
I
II),
showed
outstanding
values
3.26,
7.15,
6.15,
6.81,
15.21
11.93
respectively).
CONCLUSION
In
summary,
findings
show
a
versatile
raw
material
be
used
pharmaceutical,
cosmetic
food
industries
develop
products
promote
health.
©
2025
Author(s).
Journal
Science
Food
Agriculture
published
John
Wiley
&
Sons
Ltd
on
behalf
Society
Industry.
Language: Английский
Sage ( Salvia macrochlamys ): LC-HRMS for phytochemical analysis, cytotoxicity, enzyme inhibition, antioxidant activity, molecular docking and molecular dynamics simulations
Plant Biosystems - An International Journal Dealing with all Aspects of Plant Biology,
Journal Year:
2024,
Volume and Issue:
158(5), P. 1057 - 1075
Published: Aug. 5, 2024
This
study
primarily
aims
to
evaluate
the
phenolic
content
and
biological
activity
of
Salvia
macrochlamys
both
in
vitro
silico.
The
antioxidant
activities
were
assessed
using
various
methods.
Additionally,
cytotoxic
effects
α-amylase,
α-glucosidase,
acetylcholinesterase
(AChE)
enzyme
inhibitory
abilities
ethanolic
extract
aerial
parts
(EESM)
evaluated.
Then,
molecular
docking
interactions
dynamic
calculations
EESM
against
α-glycosidase,
AChE
enzymes
carried
out.
High
was
determined
ethanol
water
extracts.
IC50
values
(EC
3.1.1.7),
α-glycosidase
(E.C.3.2.1.20),
α-amylase
(E.C.3.2.1.1)
as
1.622
μg/mL,
0.530
1.320
respectively.
enzyme-inhibiting
properties
also
Rosmarinic
acid
identified
one
most
abundant
compounds
(WESM)
(3919.65
mg/kg
10520.77
mg/kg,
respectively).
Their
high
level
flavonoids
phenolics,
well
potent
enzyme-inhibitory
displayed
by
extracts,
may
contribute
broadening
use
traditional
modern
therapeutic
applications.
Language: Английский
Phytochemical Profiling by UHPLC‐ESI‐MS/MS, In Vitro Antioxidant, In Vivo Antidiabetic, and Pro‐Sexual Effects of Salvia balansae Noë ex Coss Flower Extract in Diabetic Male Rats
Chemistry & Biodiversity,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 7, 2025
ABSTRACT
Our
study
assessed
the
phytochemical
composition
and
effects
of
Salvia
balansae
flower
aqueous
extract
(FAE)
on
sexual
dysfunction
in
diabetic
rats.
Total
phenolic
flavonoid
content,
quantification
phytochemicals
by
ultrahigh
performance
liquid
chromatography
(UHPLC)–electrospray
ionization
(ESI)–tandem
mass
spectrometry
(MS/MS)
method,
vitro
antioxidant
capacity
FAE
were
elucidated.
For
vivo
study,
diabetes
was
induced
one
intraperitoneal
injection
streptozotocin
(STZ)
(40
mg/kg),
treated
rats
given
at
200
mg/kg.
Rats
subjected
to
a
incentive
motivation
test
(SIM)
mating
behavior
test,
then
serum
testosterone
levels
sperm
quality
analyzed.
indicates
that
contained
large
amount
compounds
flavonoids,
13
constituents
quantified;
cynaroside
(3.8
mg
analyte/g
extract)
main
compound,
followed
rosmarinic
acid
(3.145
extract),
thus
confirming
its
high
capacity.
treatment
significantly
reduced
blood
glucose
levels,
improved
copulatory
behavior,
increased
enhanced
diabetic‐treated
compared
untreated
The
present
work
demonstrates
therapeutic
potential
S.
flowers
enhancing
reproductive
function
rats,
potentially
through
antioxidant,
antihyperglycemic,
aphrodisiac
properties.
Language: Английский
Antioxidants: a comprehensive review
Archives of Toxicology,
Journal Year:
2025,
Volume and Issue:
unknown
Published: April 15, 2025
Language: Английский
Natural and Powerful Antioxidant Source Propolis According to in Vitro Analysis Results
Published: June 7, 2024
Antioxidants
are
leading
the
way
in
prevention
of
more
than
100
diseases.
They
divided
into
synthetic
and
natural
antioxidants.
Due
to
harmful
effects
antioxidants,
studies
on
antioxidants
have
intensified.
Propolis,
which
has
highest
antioxidant
properties
among
bee
products,
is
a
source
Propolis
shows
much
stronger
many
medicinal
aromatic
plants
other
products.
Therefore,
this
chapter,
potential
propolis,
powerful
antioxidant,
presented
with
current
vitro
studies.
Language: Английский
Carduus nutans L.’ın LC-MS/MS ile Fitokimyasal Analizi, Antioksidan, Antidiyabetik, Antiglokom ve Anti-Alzheimer Etkileri
Osmaniye Korkut Ata Üniversitesi Fen Bilimleri Enstitüsü Dergisi,
Journal Year:
2024,
Volume and Issue:
7(4), P. 1702 - 1721
Published: Sept. 16, 2024
Carduus
nutans
L.
(Asteraceae),
halk
arasında
“Eşek
dikeni”
olarak
bilinir
ve
kökleri
cüzzam
kabızlık
tedavisinde,
yaprakları
ise
sıtma
tedavisinde
kullanılmaktadır.
Yapılan
çalışmada
metanol
ekstraktı
(MECN)
antioksidan
aktivitesi
enzim
inhibisyon
etkileri
spektrofotometrik
belirlenmiştir.
Antioksidan
deneylerinden
üçü
Fe3+,
Cu2+
Fe3+-TPTZ
indirgeme
deneyi
olup
sırasıyla
20
μg/mL’de
ki
absorbansları
λ700:
0,470,
λ450:
0,521
λ593:
0,671’dir.
Diğer
deneyleri
DPPH,
ABTS
DMPD
radikalleri
süpürme
IC50
değerleri
115,52
μg/mL,
37,71
85,47
μg/mL’dir.
MECN’nin
asetilkolinesteraz
(AChE),
α-glikozidaz
(α-gli)
karbonik
anhidraz
I-II
(KA
I-II)
enzimlerine
karşı
etkilerinin
3,28
8,37
18,74
μg/mL
21,83
toplam
fenolik
madde
miktarı
153,83
μg/g
GAE,
flavonoid
221,0
KE’dir.
Ayrıca
LC-MS/MS
analizi
yapılmış
7,07
µg/g
fumarik
asit,
2,72
kinik
1,09
klorojenik
asit
majör
tespit
edilmiştir.
C.
yüksek
aktiviteye
sahiptir
AChE,
α-gli
KA
iyi
bir
etkisine
sahiptir.