2. Academic Validation
  3. Design, synthesis, antitumor activity, and molecular dynamics simulations of novel sphingosine kinase 2 inhibitors

Design, synthesis, antitumor activity, and molecular dynamics simulations of novel sphingosine kinase 2 inhibitors

  • Bioorg Med Chem. 2023 Oct 1:93:117441. doi: 10.1016/j.bmc.2023.117441.
ShaSha Wang 1,  Yidan Huo 1,  Jinmiao Zhang 1,  Longfei Li 1,  Fei Cao 1,  Yali Song 1,  Yajing Zhang 2,  Kan Yang 3
Affiliations

Affiliations

  • 1 Key Laboratory of Pharmaceutical Quality Control of Hebei Province, College of Pharmaceutical Sciences, Hebei University, Baoding 071002, China.
  • 2 College of Pharmacy, Hebei University of Chinese Medicine, Shijiazhuang 050200, China. Electronic address: zyj1043011988@163.com.
  • 3 Key Laboratory of Pharmaceutical Quality Control of Hebei Province, College of Pharmaceutical Sciences, Hebei University, Baoding 071002, China. Electronic address: yangkan1014@hbu.edu.cn.
PMID: 37586181 DOI: 10.1016/j.bmc.2023.117441
Abstract

Targeting sphingosine kinase 2 (SphK2) has become a novel strategy for the treatment of Cancer. However, potent and selective SphK2 inhibitors are rare. In our work, a series of novel SphK2 inhibitors were innovatively designed, synthesized and screened. Compound 12e showed the best inhibitory activity. Molecular dynamics simulations were carried out to analyze the detailed interactions between the SphK2 and its inhibitors. Moreover, 12e exhibited anti-proliferative activity in various Cancer cells, and inhibited the migration of human breast Cancer cells MCF-7.

Keywords

Antitumor activity; Sphingolipid; Sphingosine kinases inhibitors.

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