Scholarlink

<p>Autotaxin (ATX) is considered as a serum marker of hepatic fibrosis, which is positively correlated with the degree of hepatic fibrosis. However, there are no clinical studies on anti-hepatic fibrosis drugs targeting ATX. This study attempts to find novel ATX small molecule inhibitors based on virtual screening methods including two-dimensional similarity search, pharmacophore screening, molecular docking, drug-like properties and ADMET filtration, combined with biological evaluation. An ATX inhibitor (IC50 = 43.05 µmol/L) is discovered by our screening strategy. In vivo result show that the novel ATX inhibitor represents excellent anti-hepatic fibrosis effects in mice. This screening strategy had potential significance for the discovery of ATX inhibitors in the future.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Design and bioactivity evaluation of a novel autotaxin inhibitor with anti-hepatic fibrosis effects

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2025年4月1日

查看全文
  • Yuzheng Liu,
  • Dan Luo,
  • Hongwen Leng,
  • Chaolun Gu,
  • Qingrong Ding,
  • Lin Zhao,
  • Xinxin Chao,
  • Hanxia Wang,
  • Yueteng He,
  • Silu Zhu,
  • Guanhua Ai,
  • Weijie Peng

摘要

Autotaxin (ATX) is considered as a serum marker of hepatic fibrosis, which is positively correlated with the degree of hepatic fibrosis. However, there are no clinical studies on anti-hepatic fibrosis drugs targeting ATX. This study attempts to find novel ATX small molecule inhibitors based on virtual screening methods including two-dimensional similarity search, pharmacophore screening, molecular docking, drug-like properties and ADMET filtration, combined with biological evaluation. An ATX inhibitor (IC50 = 43.05 µmol/L) is discovered by our screening strategy. In vivo result show that the novel ATX inhibitor represents excellent anti-hepatic fibrosis effects in mice. This screening strategy had potential significance for the discovery of ATX inhibitors in the future.