Design, synthesis, biological evaluation, structure-activity relationship, and toxicity of clinafloxacin-azole conjugates as novel antitubercular agents
作者: Jie LiuZhenghong RenLi FanJianyong WeiXuemei TangXingran XuDacheng Yang
作者单位: 1Institute of Bioorganic and Medicinal Chemistry, Key Laboratory of Applied Chemistry of Chongqing Municipality, School of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715, China
2School of Life Sciences, Southwest University, Chongqing 400715, China
3College of Pharmaceutical Sciences, Southwest University, Chongqing 400715, China
刊名: Bioorganic & Medicinal Chemistry, 2019, Vol.27 (1), pp.175-187
来源数据库: Elsevier Journal
DOI: 10.1016/j.bmc.2018.11.035
关键词: ClinafloxacinAzolesAntitubercular activityAntibacterial activityToxicityDrug-likeness
英文摘要: Abstract(#br)Based on the advantages of azole molecules and fluoroquinolone drugs, we designed and synthesized 34 clinafloxacin-azole conjugates using fragment-based drug design and drug combination principles. The in vitro activities of the synthesized conjugates against Mycobacterium tuberculosis (H37Rv), Hela cell as well as Gram-positive and Gram-negative bacteria were assayed. The bio assay results revealed that most of the target molecules had anti-tuberculosis (anti-TB) activity, of which 14 compounds had very strong anti-TB activity [minimum inhibitory concentration (MIC) < 2 μM]. In addition, the compounds with strong activity towards H37Rv had weak activity towards Gram-negative and Gram-positive bacteria, showing obvious selectivity towards H37Rv. Predicted toxicity data...
全文获取路径: Elsevier  (合作)
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影响因子:2.903 (2012)

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关键词翻译
关键词翻译
  • antitubercular 抗结核的
  • synthesis 合成
  • activity 活度
  • biological 生物学的
  • conjugates 接合藻类
  • novel 长篇小说
  • azole 
  • toxicity 毒性
  • relationship 关系
  • evaluation 评价