Discovery of novel MLK4 inhibitors against colorectal cancer through computational approaches. - Shopnil Akash; S. K. Hasibul Islam Shanto; Md. Rezaul Islam; Imren Bayil; Samson Olusegun Afolabi; Abdelkrim Guendouzi; Magda H. Abdellattif; Magdi E. A. Zaki (Comput. Biol. Medicine, 2024)

Inhibition of the Janus kinase protein (JAK1) by the A. Pyrethrum Root Extract for the treatment of Vitiligo pathology. Design, Molecular Docking, ADME-Tox, MD Simulation, and in-silico investigation. - Mohamed Ouabane; Khadija Zaki; Hanane Zaki; Abdelkrim Guendouzi; Abdelouahid Sbai; Chakib Sekkate; Tahar Lakhlifi; Mohammed Bouachrine (Comput. Biol. Medicine, 2024)

From farm to pharma: Investigation of the therapeutic potential of the dietary plants Apium graveolens L., Coriandrum sativum, and Mentha longifolia, as AhR modulators for Immunotherapy. - Khadija Zaki; Mohamed Ouabane; Abdelkrim Guendouzi; Abdelouahid Sbai; Chakib Sekkate; Mohammed Bouachrine; Tahar Lakhlifi (Comput. Biol. Medicine, 2024)

Identification of Therapeutic Compounds Targeting Phosphatidylinositol 3-Kinase (PI3K) Through Molecular Docking, Dynamics Simulation, and DFT Calculations. - Jehad Zuhair Tayyeb; Imren Bayil; Taha Alqahtani; Gabriel Vinícius Rolim Silva; Guilherme Bastos Alves; Al-Anood M. Al-Dies; Abdelkrim Guendouzi; Jonas Ivan Nobre Oliveira; Magdi E. A. Zaki (Comput. Biol. Chem., 2025)

Pyrazole-benzimidazole derivatives targeting MCF-7 breast cancer cells as potential anti-proliferative agents. 3D QSAR and In-silico investigations via molecular docking and molecular dynamics simulations. - Etibaria Belghalia; Farid Elbamtari; Motasim Jawi; Abdelkrim Guendouzi; Abdelouahid Sbai; M'barek Choukrad; Tahar Lakhlifi; Mohammed Bouachrine (Comput. Biol. Medicine, 2025)