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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: lai ch. 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
New tetrahydroisoquinoline-4-carbonitrile derivatives as potent agents against cyclin-dependent kinases, crystal structures, and computational studies.
El Bakri Y, Karthikeyan S, Lai CH, Bakhite EA, Ahmad I, Abdel-Rahman AE, Abuelhassan S, Marae IS, Mohamed SK, Mague JT. El Bakri Y, et al. Among authors: lai ch. J Biomol Struct Dyn. 2024 Jul;42(10):5053-5071. doi: 10.1080/07391102.2023.2224899. Epub 2023 Jun 26. J Biomol Struct Dyn. 2024. PMID: 38764131
Crystal structure, computational study and Hirshfeld surface analysis of ethyl (2S,3R)-3-(3-amino-1H-1,2,4-triazol-1-yl)-2-hy-droxy-3-phenyl-propano-ate.
Ben Ali A, El Bakri Y, Lai CH, Sebhaoui J, El Ghayati L, Essassi EM, Mague JT. Ben Ali A, et al. Among authors: lai ch. Acta Crystallogr E Crystallogr Commun. 2019 Nov 26;75(Pt 12):1919-1924. doi: 10.1107/S2056989019015743. eCollection 2019 Dec 1. Acta Crystallogr E Crystallogr Commun. 2019. PMID: 31871758 Free PMC article.
1,925 results