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5-((1H-imidazol-1-yl)methyl)quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies.
Douche D, Sert Y, Brandán SA, Kawther AA, Bilmez B, Dege N, Louzi AE, Bougrin K, Karrouchi K, Himmi B. Douche D, et al. Among authors: sert y. J Mol Struct. 2021 May 15;1232:130005. doi: 10.1016/j.molstruc.2021.130005. Epub 2021 Jan 27. J Mol Struct. 2021. PMID: 33526951 Free PMC article.
Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy framework, docking and molecular dynamic simulations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one as anticancer agent.
El Kalai F, Çınar EB, Sert Y, Alhaji Isa M, Lai CH, Buba F, Dege N, Benchat N, Karrouchi K. El Kalai F, et al. Among authors: sert y. J Biomol Struct Dyn. 2023;41(21):11578-11597. doi: 10.1080/07391102.2022.2164796. Epub 2023 Jan 9. J Biomol Struct Dyn. 2023. PMID: 36617972
29 results