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ID: ALA4627299

Journal: Bioorg Med Chem

Title: Computational discovery and biological evaluation of novel inhibitors targeting histone-lysine N-methyltransferase SET7.

Authors: Min W, Hou Z, Zhang F, Xie S, Yuan K, Dong H, Wang L, Qi L, Luo C, Ding H, Yang P.

Abstract: Histone-lysine N-methyltransferase SET7 emerged as a potential target for multiple cancers. In a virtual screening program used to explore new and potent inhibitors of SET7, compound 16 was discovered as a top hit with an IC50 value of 6.02 μM. A further similarity search afforded a new compound 23, which exhibited better activity against SET7 with an IC50 value of 1.96 μM. Importantly, compound 23 selectively inhibited the proliferation of MV4-11 cells. Comprehensively, compound 23 can serve as a lead for further identification and development of more potent SET7 inhibitors.

CiteXplore: 32088124

DOI: 10.1016/j.bmc.2020.115372