RECENT SCHOLAR PUBLICATIONS
- Computational Investigation of Potent EGFR Inhibitors from Flavonoid-Based Phytochemical Constituents of Caralluma Europaea as Pancreatic Cancer AgentsK El Khatabi, M Alaqarbeh, HM Rehman, MA Ajana, T Lakhlifi, ...Physical Chemistry Research 12 (4), 963-974 2024
- Exploring Phenoxazinone Synthase Activities: Experimental and Theoretical Analyses of Symmetrical Azine LigandsH Meziane, Z Abbaoui, M Ouabane, A Djedouani, S Chetioui, M El Kodadi, ...Physical Chemistry Research 12 (4), 859-868 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 forK Zaki, M Ouabane, A Guendouzi, A Sbai, C Sekkate, M Bouachrine, ...Computers in Biology and Medicine 181, 109051 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, andM Ouabane, K Zaki, H Zaki, A Guendouzi, A Sbai, C Sekkate, T Lakhlifi, ...Computers in Biology and Medicine 179, 108816 2024
- Study of the Anticancer Potential of Cannabidiol Using Computational MethodsMB SOUMIA AISSAOUI 1 Halima Hajji, Hanane ZAKI, Marwa Alaqarbeh, Samir ...Physical and Chemical Research 12 (3), 783-800 2024
- In Silico Approach for Developing New Anti-Tuberculosis Drug Candidates: 3D-QSAR, Molecular Docking and ADME Studies of Pretomanid DerivativesA Belafriekh, A Laoud, L Elmchichi, M BouachrinePhysical Chemistry Research 12 (3), 729-743 2024
- QSAR Modeling and Molecular Docking Studies of 3, 5-Disubstituted Indole Derivatives as Pim1 Inhibitors for Combating Hematological CancerY EL Allouche, H Zaitan, M Bouachrine, F KhalilPhysical Chemistry Research 12 (3), 631-645 2024
- Exploring innovative strategies for identifying anti-breast cancer compounds by integrating 2D/3D-QSAR, molecular docking analyses, ADMET predictions, molecular dynamicsS El Rhabori, M Alaqarbeh, YEL Allouche, L Naanaai, A El Aissouq, ...Journal of Molecular Structure, 139500 2024
- Computational investigation of imidazo [2, 1-b] oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, andM Boutalaka, S El Bahi, M Alaqarbeh, MA El Alaouy, Y Koubi, KE Khatabi, ...Journal of Biomolecular Structure and Dynamics 42 (10), 5268-5287 2024
- 3D-QSAR, molecular docking, ADMET, simulation dynamic, and retrosynthesis studies on new styrylquinolines derivatives against breast cancerR EL-Mernissi, M Alaqarbeh, A Khaldan, M Kara, O Al kamaly, ...Open Chemistry 22 (1), 20240041 2024
- FMS-like tyrosine kinase 3 inhibitory potentials of some phytochemicals from anti-leukemic plants using computational chemical methodologiesHI Umar, Z Ashimiyu-Abdusalam, M Alaqarbeh, WE Magani, O Victor, ...Open Chemistry 22 (1), 20240045 2024
- Chemoinformatics Study of Benzodiazepine-1, 2, 3-triazole Derivatives Targeting ButyrylcholinesteraseY El Allouche, M Alaqarbeh, A El Aissouq, S El Rhabori, Y Ech-Chahdi, ...Journal of Fluorescence, 1-14 2024
- Computational Prediction of Spiropyrazoline Derivatives as Potential Acetylcholinesterase Inhibitors for Alzheimer’s Disease TreatmentMAE Alaouy, M Alaqarbeh, SE Bahi, M Boutalaka, S Esslali, A Sbai, ...Russian Journal of Bioorganic Chemistry 50 (3), 1016-1036 2024
- Biochemical and toxicity evaluation of Retama sphaerocarpa extracts and in-silico investigation of phenolic compounds as potential inhibitors against HPV16 E6 oncoproteinS Moujane, I Bouadid, A Bouymajane, FZ Younes, M Benlyas, ...Fitoterapia 175, 105923 2024
- Computational integration for antifungal 1, 2, 4-triazole inhibitors design: QSAR, molecular docking, molecular dynamics simulations, ADME/Tox, and retrosynthesis studiesS Bouamrane, A Khaldan, M Alaqarbeh, A Sbai, MA Ajana, T Lakhlifi, ...Chemical Physics Impact 8, 100502 2024
- Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agentsS El Rhabori, M Alaqarbeh, A El Aissouq, M Bouachrine, S Chtita, F KhalilChemical Physics Impact 8, 100455 2024
- In-silico study of 4-aminoquinoline derivatives as antimalarial agentsM Ouabane, K Zaki, C Sekkate, A Sbai, M Bouachrine, T LakhlifiRHAZES: Green and Applied Chemistry 19, 42-58 2024
- 3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activityR El-Mernissi, A Khaldan, S Bouamrane, HM Rehman, M Alaqarbeh, ...Journal of Biomolecular Structure and Dynamics 42 (7), 3682-3699 2024
- Exploring Structure–Toxicity Relationships in Nitrobenzene and Derivatives: A Multifaceted Biochemical Investigation Using 3D–QSPR, HQSPR, Molecular Docking, and MD SimulationM Ouabane, K Zaki, M Alaqarbeh, A Guendouzi, C Sekkate, A Sbai, ...ChemistrySelect 9 (15), e202304588 2024
- Design of new α-glucosidase inhibitors through a combination of 3D-QSAR, ADMET screening, molecular docking, molecular dynamics simulations and quantum studiesA Khaldan, S Bouamrane, R El-mernissi, M Ouabane, M Alaqarbeh, ...Arabian Journal of Chemistry 17 (3), 105656 2024