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2025
Design and interaction mechanism of novel SIRT1 inhibitors for the treatment of hepatocellular carcinoma
New Journal of Chemistry
2025
Protein kinase ROCK1 activates mitochondrial fission linking to oxidative stress and muscle atrophy
Kidney International
2024
Design of novel PLK4 inhibitors as TRIM37-amplified breast cancer drugs using 3D-QSAR, molecular docking, and molecular dynamics simulation methods
Molecular Simulation
2024
In silico screening-based discovery of benzamide derivatives as inhibitors of Rho-associated kinase-1 (ROCK1)
Journal of Biomolecular Structure and Dynamics
2023
Three-Dimensional-QSAR and Relative Binding Affinity Estimation of Focal Adhesion Kinase Inhibitors
Molecules
2023
ROCK inhibitor: Focus on recent updates
Chinese Chemical Letters
2022
Structural Insights from Molecular Modeling of Isoindolin-1-One Derivatives as PI3Kγ Inhibitors against Gastric Carcinoma
Biomedicines
2022
Binding Studies and Lead Generation of Pteridin-7(8H)-one Derivatives Targeting FLT3
International Journal of Molecular Sciences
2022
Comparative binding affinity analysis of dual CDK2/FLT3 inhibitors
Bulletin of the Korean Chemical Society
2022
Combined 3D-QSAR, molecular docking and dynamics simulations studies to model and design TTK inhibitors
Frontiers in Chemistry
2022
Design and Synthesis of Aminopyrimidinyl Pyrazole Analogs as PLK1 Inhibitors Using Hybrid 3D-QSAR and Molecular Docking
Pharmaceuticals
2021
Generation of Non-Nucleotide CD73 Inhibitors Using a Molecular Docking and 3D-QSAR Approach
International Journal of Molecular Sciences
2021
Molecular Modeling Studies of N-phenylpyrimidine-4-amine Derivatives for Inhibiting FMS-like Tyrosine Kinase-3
International Journal of Molecular Sciences
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