Search Results - "El Allouche, Yassine"

Exploring innovative strategies for identifying anti-breast cancer compounds by integrating 2D/3D-QSAR, molecular docking analyses, ADMET predictions, molecular dynamics simulations, and MM-PBSA approaches by El Rhabori, Said, Alaqarbeh, Marwa, El Allouche, Yassine, Naanaai, Lhoucine, El Aissouq, Abdellah, Bouachrine, Mohammed, Chtita, Samir, Khalil, Fouad

“…•2D/ 3D QSAR models have strong external prediction performance.•The findings of CoMSIA were confirmed by molecular docking, then the binding modes were…”
Get full text

Chemoinformatics Study of Benzodiazepine-1, 2, 3-triazole Derivatives Targeting Butyrylcholinesterase by El Allouche, Yassine, Alaqarbeh, Marwa, El Aissouq, Abdellah, El Rhabori, Said, Ech-Chahdi, Youssra, Bouachrine, Mohammed, Zaitan, Hicham, Khalil, Fouad

“…This study aims to assess the potential bioactivity of newly designed benzodiazepine-1,2,3-triazole derivatives using in-silico methodologies, with a primary…”
Get full text