Synthesis, anti-leukemia activity, and molecular docking of novel 3,16-androstenedione derivatives

Dongjie Chen,Jiaying Huang, Shanshan Xiao,Guiguang Cheng,Yaping Liu,Tianrui Zhao,Caixia Chen,Yongxin Yi,Yungui Peng,Jianxin Cao

Steroids（2023）

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摘要

•3,16-androstenedione derivatives could be synthesized by DHEA with high yields.•Compounds 14a and 23a displayed good anti-leukemia activity in ALL cells.•The anti-leukemia mechanism of 14a and 23a was related to PI3K/Akt pathways.•Compounds 14a and 23a had strong affinity with PTGS2 and MAPK14, respectively.•Compounds 14a and 23a showed good drug-likeness properties.

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关键词

Androsta-4,14-diene-3,16-dione,3,16-androstenedione derivatives,Acute lymphoblastic leukemia,Network pharmacology,Molecular docking

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