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Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations.
Chtita S, Belaidi S, Qais FA, Ouassaf M, AlMogren MM, Al-Zahrani AA, Bakhouch M, Belhassan A, Zaki H, Bouachrine M, Lakhlifi T. Chtita S, et al. Among authors: zaki h. J King Saud Univ Sci. 2022 Oct;34(7):102226. doi: 10.1016/j.jksus.2022.102226. Epub 2022 Jul 20. J King Saud Univ Sci. 2022. PMID: 35875823 Free PMC article.
In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic simulation and ADMET profiling.
Belhassan A, Chtita S, Zaki H, Alaqarbeh M, Alsakhen N, Almohtaseb F, Lakhlifi T, Bouachrine M. Belhassan A, et al. Among authors: zaki h. J Mol Struct. 2022 Jun 15;1258:132652. doi: 10.1016/j.molstruc.2022.132652. Epub 2022 Feb 18. J Mol Struct. 2022. PMID: 35194243 Free PMC article.
Computational Prediction of 3,5-Diaryl-1H-Pyrazole and spiropyrazolines derivatives as potential acetylcholinesterase inhibitors for alzheimer disease treatment by 3D-QSAR, molecular docking, molecular dynamics simulation, and ADME-Tox.
El Alaouy MA, Alaqarbeh M, Ouabane M, Zaki H, ElBouhi M, Badaoui H, Moukhliss Y, Sbai A, Maghat H, Lakhlifi T, Bouachrine M. El Alaouy MA, et al. Among authors: zaki h. J Biomol Struct Dyn. 2023 Sep 1:1-14. doi: 10.1080/07391102.2023.2252116. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37655700
295 results