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In silico evaluation of molecular interactions between macrocyclic inhibitors with the HCV NS3 protease. Docking and identification of antiviral pharmacophore site.
Lafridi H, Almalki FA, Ben Hadda T, Berredjem M, Kawsar SMA, Alqahtani AM, Esharkawy ER, Lakhrissi B, Zgou H. Lafridi H, et al. Among authors: zgou h. J Biomol Struct Dyn. 2023 Apr;41(6):2260-2273. doi: 10.1080/07391102.2022.2029571. Epub 2022 Jan 25. J Biomol Struct Dyn. 2023. PMID: 35075979
Pharmacophores Modeling in Terms of Prediction of Theoretical Physicochemical Properties and Verification by EXPERIMENTAL correlations of Carbacylamidophosphates (CAPh) and Sulfanylamidophosphates (SAPh) Tested as New Carbonic Anhydrase Inhibitors.
Amirkhanov V, Rauf A, Hadda TB, Ovchynnikov V, Trush V, Saleem M, Raza M, Rehman T, Zgou H, Shaheen U, Farghaly TA. Amirkhanov V, et al. Among authors: zgou h. Mini Rev Med Chem. 2019;19(12):1015-1027. doi: 10.2174/1389557519666190222172757. Mini Rev Med Chem. 2019. PMID: 30806314
QSAR, molecular docking and ADMET properties in silico studies of novel 4,5,6,7-tetrahydrobenzo[D]-thiazol-2-Yl derivatives derived from dimedone as potent anti-tumor agents through inhibition of C-Met receptor tyrosine kinase.
Daoui O, Elkhattabi S, Chtita S, Elkhalabi R, Zgou H, Benjelloun AT. Daoui O, et al. Among authors: zgou h. Heliyon. 2021 Jul 3;7(7):e07463. doi: 10.1016/j.heliyon.2021.e07463. eCollection 2021 Jul. Heliyon. 2021. PMID: 34296007 Free PMC article.