Publications by authors named "Meryem Boutalaka"
J Biomol Struct Dyn
July 2024
Article Synopsis
- BRAF inhibitors are effective against melanoma and other cancers, and this study focuses on imidazo[2,1-b]oxazole derivatives as potential mutant BRAF kinase inhibitors.
- The researchers utilized 3D-QSAR, molecular docking, and molecular dynamics simulations to evaluate these compounds, creating strong predictive models (CoMSIA/SEHA) that indicated promising anti-cancer activity and stability in the receptor's active site.
- Four inhibitors (T1-T4) were identified with favorable binding free energies and good ADMET properties, suggesting their potential for further development as anticancer medications.
