Design, 3D-QSAR, molecular docking, MD simulations, ADME/Tox properties and DFT study of benzimidazole derivatives as promising α-glucosidase inhibitors
Journal of Molecular Structure,
Journal Year:
2025,
Volume and Issue:
1328, P. 141351 - 141351
Published: Jan. 7, 2025
Language: Английский
An updated review on 1,2,3-/1,2,4-triazoles: synthesis and diverse range of biological potential
Anirudh Pratap Singh Raman,
No information about this author
M. Aslam,
No information about this author
Amardeep Awasthi
No information about this author
et al.
Molecular Diversity,
Journal Year:
2024,
Volume and Issue:
unknown
Published: July 27, 2024
Language: Английский
Design and interaction mechanism of novel SIRT1 inhibitors for the treatment of hepatocellular carcinoma
New Journal of Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown
Published: Jan. 1, 2025
Silent
information
regulator
sirtuin
1
(SIRT1)
is
a
niacinamide
adenine
dinucleotide
(NAD)-dependent
histone
deacetylase
and
promising
target
for
the
treatment
of
hepatocellular
carcinoma
(HCC).
Language: Английский
Exploration of novel azole-quinoline hybrids as LdNMT inhibitors using in-silico approach; molecular docking, DFT, molecular dynamics simulations, MMGBSA and ADMET
Results in Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown, P. 102303 - 102303
Published: April 1, 2025
Language: Английский
Discovery of novel DdlA inhibitors in multidrug-resistant Pseudomonas aeruginosa using virtual screening, molecular docking, and dynamics simulations
Scientific Reports,
Journal Year:
2025,
Volume and Issue:
15(1)
Published: May 1, 2025
Language: Английский
Discovery of novel 1,2,3-Triazole hybrids derivatives as vasorelaxant agents: Molecular structure, Hirshfield surface, in-vivo and in-silico investigation by molecular docking simulation
Yassine Rhazi,
No information about this author
Ismail Bouadid,
No information about this author
Asmae Nakkabi
No information about this author
et al.
European Journal of Medicinal Chemistry,
Journal Year:
2025,
Volume and Issue:
unknown, P. 117515 - 117515
Published: March 1, 2025
Language: Английский
Computational and experimental exploration of morpholine pendent 2-hydrazineyl thiazole: Insights from DFT, ADME profiling, antifungal efficacy and molecular docking analyses
Results in Chemistry,
Journal Year:
2024,
Volume and Issue:
unknown, P. 101951 - 101951
Published: Dec. 1, 2024
Language: Английский