Identification and Structure-Activity Studies of 1,3-Dibenzyl-2-aryl imidazolidines as Novel Hsp90 Inhibitors
作者: Yajun LiuXiaoxia LiuLihong LiRui DaiMeiyun ShiHongyu XueYong LiuHecheng Wang
刊名: Molecules, 2019, Vol.24 (11)
来源数据库: Directory of Open Access Journals
DOI: 10.3390/molecules24112105
关键词: Hsp90ImidazolidineAnti-cancerMolecule dockingVirtual screening
原始语种摘要: Hsp90 (Heat shock protein 90) is involved in various processes in cancer occurrence and development, and therefore represents a promising drug target for cancer therapy. In this work, a virtual screening strategy was employed, leading to the identification of a series of compounds bearing a scaffold of 1,3-dibenzyl-2-aryl imidazolidine as novel Hsp90 inhibitors. Compound 4a showed the highest binding affinity to Hsp90α (IC50 = 12 nM) in fluorescence polarization (FP) competition assay and the strongest anti-proliferative activity against human breast adenocarcinoma cell line (MCF-7) and human lung epithelial cell line (A549) with IC50 values of 21.58 μM and 31.22 μM, respectively. Western blotting assays revealed that these novel Hsp90 inhibitors significantly...
全文获取路径: DOAJ  (合作)
影响因子:2.428 (2012)

  • novel 长篇小说
  • screening 筛分
  • dibenzyl 二苄基
  • terminus 末端
  • docking 靠泊
  • expression 表示
  • binding 装订
  • these 这些的
  • activity 活度
  • protein 蛋白质