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Design of novel potent selective survivin inhibitors using 2D-QSAR modeling, molecular docking, molecular dynamics, and ADMET properties of new MX-106 hydroxyquinoline scaffold derivatives.
Aloui M, El Fadili M, Mujwar S, Er-Rahmani S, Abuelizz HA, Er-Rajy M, Zarougui S, Elhallaoui M. Aloui M, et al. Among authors: elhallaoui m. Heliyon. 2024 Sep 26;10(19):e38383. doi: 10.1016/j.heliyon.2024.e38383. eCollection 2024 Oct 15. Heliyon. 2024. PMID: 39397921 Free PMC article.
QSAR, ADMET In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Studies of Novel Bicyclo (Aryl Methyl) Benzamides as Potent GlyT1 Inhibitors for the Treatment of Schizophrenia.
El Fadili M, Er-Rajy M, Kara M, Assouguem A, Belhassan A, Alotaibi A, Mrabti NN, Fidan H, Ullah R, Ercisli S, Zarougui S, Elhallaoui M. El Fadili M, et al. Among authors: elhallaoui m. Pharmaceuticals (Basel). 2022 May 27;15(6):670. doi: 10.3390/ph15060670. Pharmaceuticals (Basel). 2022. PMID: 35745588 Free PMC article.
3D-QSAR Studies, Molecular Docking, Molecular Dynamic Simulation, and ADMET Proprieties of Novel Pteridinone Derivatives as PLK1 Inhibitors for the Treatment of Prostate Cancer.
Er-Rajy M, El Fadili M, Imtara H, Saeed A, Ur Rehman A, Zarougui S, Abdullah SA, Alahdab A, Parvez MK, Elhallaoui M. Er-Rajy M, et al. Among authors: elhallaoui m. Life (Basel). 2023 Jan 2;13(1):127. doi: 10.3390/life13010127. Life (Basel). 2023. PMID: 36676076 Free PMC article.
An in-silico investigation based on molecular simulations of novel and potential brain-penetrant GluN2B NMDA receptor antagonists as anti-stroke therapeutic agents.
El Fadili M, Er-Rajy M, Ali Eltayb W, Kara M, Imtara H, Zarougui S, Al-Hoshani N, Hamadi A, Elhallaoui M. El Fadili M, et al. Among authors: elhallaoui m. J Biomol Struct Dyn. 2024 Aug;42(12):6174-6188. doi: 10.1080/07391102.2023.2232024. Epub 2023 Jul 10. J Biomol Struct Dyn. 2024. PMID: 37428078
25 results