The synthesis of novel unnatural amino acid by intramolecular aza‐Michael addition reaction as multitarget enzyme inhibitors
Journal of Biochemical and Molecular Toxicology,
Journal Year:
2024,
Volume and Issue:
38(9)
Published: Sept. 1, 2024
Abstract
Synthesis
of
novel
unnatural
amino
acids
(UAAs)
from
4‐oxo‐4‐phenylbut‐2‐enoic
acid
derivatives
with
intramolecular
aza‐Michael
addition
reaction
in
the
presence
chlorosulfonyl
isocyanate
(CSI)
was
reported
soft
conditions
without
any
metal
catalyst.
Acids
and
base
as
a
catalyst,
solvents
effects
were
investigated
for
synthesis
UAAs.
This
method
provides
inexpensive,
practicable,
efficient
approach
to
generate
The
use
UAAs
has
attracted
great
interest
development
therapeutic
agents
drug
discovery
improve
their
properties.
In
this
context,
new
UAAs,
inhibition
on
important
metabolic
enzymes
acetylcholinesterase
(AChE)
carbonic
anhydrases
I
II
(hCA
II)
investigated.
compound
2g
showed
best
CA
AChE
enzymes,
while
2i
exhibited
profile
against
isoenzyme.
values
these
compounds
found
1.85
±
0.64
AChE,
0.53
0.07
hCA
I,
0.44
0.15
µM
II,
respectively,
they
stronger
inhibitory
property
than
acetazolamide
(standard
inhibitor
tacrine
AChE)
molecules.
activity
studied
molecule
different
proteins
that
are
(PDB
ID:
2CAB),
5AML),
1OCE)
examined.
Finally,
properties
examined
by
performing
absorption,
distribution,
metabolism,
excretion,
toxicity
analysis.
Language: Английский
Novel Thiohydantoin Derivatives: Design, Synthesis, Spectroscopic Characterization, Crystal Structure, SAR, DFT, Molecular Docking, Pharmacological and Toxicological activities
Journal of Molecular Structure,
Journal Year:
2025,
Volume and Issue:
1335, P. 141995 - 141995
Published: March 8, 2025
Language: Английский
Investigation of the Effect of Gingerol on α‐Glycosidase Cholinesterases and Monoamine Oxidase Enzymes: Antioxidant Activity and In Silico Study
ChemistrySelect,
Journal Year:
2025,
Volume and Issue:
10(9)
Published: Feb. 26, 2025
Abstract
This
study
examined
the
effects
of
gingerol,
an
active
ingredient
in
ginger,
on
monoamine
oxidases
(MAO)‐A
and
B,
acetylcholinesterase
(AChE),
butyrylcholinesterase
(BChE),
α‐glycosidase
enzymes
as
vitro.
The
IC
50
values
were
calculated
for
MAO‐A,
MAO‐B,
AChE,
BChE,
13.05
µM,
16.6
2.14
nM,
3.37
27.28
respectively.
Additionally,
K
i
determined
to
be
0.67
±
0.012
nM
0.86
0.033
14.36
3.41
α‐glycosidase.
To
evaluate
antioxidant
radical
scavenging
capacities
Fe
2+
,
Cu
3+
‐TPTZ
reductions,
DPPH∙·and
ABTS
∙+
activities
examined.
absorbance
activity
gingerol
was
found
1.084
0.057
reducing
ability,
0.343
0.036
1.26
0.020
FRAP
assay
at
30
µg/mL.
As
results,
17.33
µg/mL
DPPH∙
5.93
assay.
From
these
it
that
exhibited
significant
properties
when
compared
standard
antioxidants.
Molecular
docking
simulations
ADME
studies
have
provided
insights
into
interactions
between
target
enzymes,
guiding
design
novel
therapeutic
agents
critical
diseases,
including
Alzheimer's
disease,
Parkinson's
diabetes.
Language: Английский
Chalcone-based Schiff Bases: Design, Synthesis, Structural Characterization and Biological Effects
Journal of Molecular Structure,
Journal Year:
2025,
Volume and Issue:
unknown, P. 142211 - 142211
Published: March 1, 2025
Language: Английский
Synthesis of Novel Thiazole Derivatives Containing 3-Methylthiophene Carbaldehyde as Potent Anti α-Glucosidase Agents: In Vitro Evaluation, Molecular Docking, Dynamics, MM-GBSA, and DFT Studies
Najeeb Ullah,
No information about this author
Aftab Alam,
No information about this author
Zainab Zainab
No information about this author
et al.
Journal of Molecular Structure,
Journal Year:
2024,
Volume and Issue:
unknown, P. 140070 - 140070
Published: Sept. 1, 2024
Language: Английский
A study on insecticidal activity of the fennel (Foeniculum vulgare) essential oil and its nanoemulsion against stored product pests and molecular docking evaluation
Semra Çi̇çek,
No information about this author
Yeşim Bulak Korkmaz,
No information about this author
Burak Tüzün
No information about this author
et al.
Industrial Crops and Products,
Journal Year:
2024,
Volume and Issue:
222, P. 119859 - 119859
Published: Oct. 22, 2024
Language: Английский
Growth, Molecular Docking, Hirshfeld Surface Analysis and First-Principles Investigation on the Structural, Morphological and Mechanical Properties of the OIH Hybrid: C2H8N4S22+·2HSO4− Under Pressure.
Journal of Molecular Structure,
Journal Year:
2024,
Volume and Issue:
unknown, P. 140809 - 140809
Published: Nov. 1, 2024
Language: Английский