Design, synthesis, in-vitro and in-silico studies of 6-bromochromone based thiosemicarbazones as α-glucosidase inhibitors
Kholood A. Dahlous,
Muhammad Ajmal,
Naeem Ullah
и другие.
Journal of Molecular Structure,
Год журнала:
2025,
Номер
unknown, С. 141374 - 141374
Опубликована: Янв. 1, 2025
Язык: Английский
Expression of PPAR-γ TF by newly synthesized thiazolidine-2,4-diones to manage glycemic control: Insights from in silico, in vitro and experimental pharmacology in wistar rats
Bioorganic Chemistry,
Год журнала:
2024,
Номер
153, С. 107966 - 107966
Опубликована: Ноя. 17, 2024
Язык: Английский
Structure-Based Insights into Fatty Acid Modulation of Lipid-Sensing Nuclear Receptors PPARδ/γ for Glycemic Regulation
Aspects of Molecular Medicine,
Год журнала:
2025,
Номер
unknown, С. 100079 - 100079
Опубликована: Март 1, 2025
Язык: Английский
Thiazolidine Based Quinazoline Hybrids: Synthesis, Docking, DFT, Molecular Dynamic Study, and In Vitro Antidiabetic Evaluation
Russian Journal of Bioorganic Chemistry,
Год журнала:
2025,
Номер
51(1), С. 177 - 201
Опубликована: Фев. 1, 2025
Язык: Английский
Novel quinoline–imidazole derivatives as inhibitors of Mycobacterium tuberculosis : an integrated approach combining molecular dynamics and in-vitro studies
Molecular Simulation,
Год журнала:
2025,
Номер
unknown, С. 1 - 19
Опубликована: Март 14, 2025
The
rationale
for
designing
and
synthesising
quinoline–imidazole
hybrids
as
antitubercular
cytotoxic
agents
stems
from
the
strategic
combination
of
two
bioactive
structural
motifs
to
create
compounds
with
enhanced
efficacy,
dual
targeting,
potential
overcome
drug
resistance
challenges
in
tuberculosis
treatment.
Herein,
we
report
design
synthesis
hybrids.
FTIR,
Mass,
1H-NMR
13C-NMR
spectral
data
characterised
synthesised
compounds.
These
were
evaluated
their
activity
against
Mycobacterium
(MTB)
H37Rv
Hep
G2,
normal
mouse
fibroblast
L929
cell
lines.
evaluation
revealed
that
compound
6
g
exhibited
promising
activities
a
MIC
value
6.26
µg/ml,
while,
6d,
h
6i
showed
moderate
MTB
inhibition.
Additionally,
6d
demonstrated
cytotoxicity
HepG2
lines
an
IC50
46.74
±
1.209
μg/ml.
Further
selected
underwent
theoretical
investigation
via
molecular
docking,
stability
assessment
MD
trajectories
quantum
computations
justify
experimental
results.
obtained
predicted
silico
indicate
act
effective
inhibitors.
Язык: Английский
Novel rhodanine-thiazole hybrids as potential antidiabetic agents: A structure-based drug design approach
RSC Medicinal Chemistry,
Год журнала:
2024,
Номер
unknown
Опубликована: Ноя. 21, 2024
New
rhodanine–thiazole
clubbed
compounds
(7a–7l)
were
synthesised
and
characterised
with
various
spectroscopy
methods.
Язык: Английский