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Open AccessArticle

Design, Synthesis and Preliminary Biological Evaluation of Benzylsulfone Coumarin Derivatives as Anti-Cancer Agents

1
College of Life Science and Bio-engineering, Beijing University of Technology, Beijing 100124, China
2
Beijing Institute of Radiation Medicine, Beijing 100850, China
*
Authors to whom correspondence should be addressed.
Academic Editors: Jean Jacques Vanden Eynde, Annie Mayence and Tien L. Huang
Molecules 2019, 24(22), 4034; https://doi.org/10.3390/molecules24224034
Received: 11 October 2019 / Revised: 2 November 2019 / Accepted: 4 November 2019 / Published: 7 November 2019
In this work, a series of benzylsulfone coumarin derivatives 5a5o were synthesized and characterized. Kinase inhibitory activity assay indicated that most of the compounds showed considerable activity against PI3K. Anti-tumor activity studies of the active compounds were also carried out in vitro on the Hela, HepG2, H1299, HCT-116, and MCF-7 tumor cell lines by MTS assay. The structure–activity relationships (SARs) of these compounds were analyzed in detail. Compound 5h exhibited the most potent activities against the mentioned cell lines with IC50 values ranging from 18.12 to 32.60 μM, followed by 5m with IC50 values of 29.30–42.14 μM. Furthermore, 5h and 5m clearly retarded the migration of Hela cells in vitro. Next, an in silico molecular docking study was conducted to evaluate the binding models of 5h and 5m towards PI3Kα and PI3Kβ. Collectively, the above findings suggested that compounds 5h and 5m might be promising PI3K inhibitors deserving further investigation for cancer treatment. View Full-Text
Keywords: benzylsulfone; coumarins; phosphoinositide 3-kinase (PI3K); anticancer; cell migration; molecular docking benzylsulfone; coumarins; phosphoinositide 3-kinase (PI3K); anticancer; cell migration; molecular docking
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Wang, T.; Peng, T.; Wen, X.; Wang, G.; Sun, Y.; Liu, S.; Zhang, S.; Wang, L. Design, Synthesis and Preliminary Biological Evaluation of Benzylsulfone Coumarin Derivatives as Anti-Cancer Agents. Molecules 2019, 24, 4034.

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