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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: guo x. 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
3-aroylmethylene-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-ones as potent Nrf2/ARE inducers in human cancer cells and AOM-DSS treated mice.
Xi MY, Jia JM, Sun HP, Sun ZY, Jiang JW, Wang YJ, Zhang MY, Zhu JF, Xu LL, Jiang ZY, Xue X, Ye M, Yang X, Gao Y, Tao L, Guo XK, Xu XL, Guo QL, Zhang XJ, Hu R, You QD. Xi MY, et al. Among authors: guo xk, guo ql. J Med Chem. 2013 Oct 24;56(20):7925-38. doi: 10.1021/jm400944k. Epub 2013 Oct 9. J Med Chem. 2013. PMID: 24053646
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