Synthesis and evaluation of halogenated 12N-sulfonyl matrinic butanes as potential anti-coxsackievirus agents

  • Eur J Med Chem. 2017 Jan 27:126:133-142. doi: 10.1016/j.ejmech.2016.09.097.
Xin-Yue Cheng  1 Yu-Huan Li  1 Sheng Tang  1 Xin Zhang  1 Yan-Xiang Wang  1 Sheng-Gang Wang  1 Jian-Dong Jiang  1 Ying-Hong Li  2 Dan-Qing Song  3
Affiliations
  • 1. Institute of Medicinal Biotechnology, Chinese Academy of Medical Science & Peking Union Medical College, Beijing 100050, China.
  • 2. Institute of Medicinal Biotechnology, Chinese Academy of Medical Science & Peking Union Medical College, Beijing 100050, China. Electronic address: [email protected].
  • 3. Institute of Medicinal Biotechnology, Chinese Academy of Medical Science & Peking Union Medical College, Beijing 100050, China. Electronic address: [email protected].
Abstract

Twenty-eight new 12N-benzenesulfonyl matrinic butane and halogenated 12N-sulfonyl matrinic butane/ethane derivatives were designed, synthesized and evaluated for their anti-coxsakievirus activities against CVB3 taking compound 1 as the lead. SAR analysis indicated the introduction of a fluoro atom on the 1'-position might be helpful for keeping potency. Among them, compound 8a exhibited potential activities against all CVBs with IC50 ranging from 0.69 to 5.14 μM, suggesting a broad-spectrum anti-coxsackievirus B feature. In addition, it also displayed an excellent PK and a good safety profile, indicating a highly druggable nature. Thus, we consider compound 8a to be a promising drug candidate in the treatment of not only viral myocarditis caused by CVB3 but also various diseases infected with coxsackieviruses B.

Keywords
Coxsakievirus; Druggability; Halogenated matrinic butane; Matrinic butane; structure−activity relationship.