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Discovery and design of tricyclic scaffolds as protein kinase CK2 (CK2) inhibitors through a combination of shape-based virtual screening and structure-based molecular modification.
Sun H, Xu X, Wu X, Zhang X, Liu F, Jia J, Guo X, Huang J, Jiang Z, Feng T, Chu H, Zhou Y, Zhang S, Liu Z, You Q. Sun H, et al. Among authors: zhou y. J Chem Inf Model. 2013 Aug 26;53(8):2093-102. doi: 10.1021/ci400114f. Epub 2013 Aug 12. J Chem Inf Model. 2013. PMID: 23937544
Investigation of multi-target-directed ligands (MTDLs) with butyrylcholinesterase (BuChE) and indoleamine 2,3-dioxygenase 1 (IDO1) inhibition: The design, synthesis of miconazole analogues targeting Alzheimer's disease.
Lu X, He SY, Li Q, Yang H, Jiang X, Lin H, Chen Y, Qu W, Feng F, Bian Y, Zhou Y, Sun H. Lu X, et al. Among authors: zhou y. Bioorg Med Chem. 2018 May 1;26(8):1665-1674. doi: 10.1016/j.bmc.2018.02.014. Epub 2018 Feb 13. Bioorg Med Chem. 2018. PMID: 29475581
Expansion of the scaffold diversity for the development of highly selective butyrylcholinesterase (BChE) inhibitors: Discovery of new hits through the pharmacophore model generation, virtual screening and molecular dynamics simulation.
Lu X, Yang H, Li Q, Chen Y, Li Q, Zhou Y, Feng F, Liu W, Guo Q, Sun H. Lu X, et al. Among authors: zhou y. Bioorg Chem. 2019 Apr;85:117-127. doi: 10.1016/j.bioorg.2018.12.023. Epub 2018 Dec 21. Bioorg Chem. 2019. PMID: 30605885
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