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Scientific Reports

Scientific Reports

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

Published:1 April 2025 DOI: 10.1038/s41598-025-95464-2 PMID: 40169822
Yuzheng Liu,?Dan Luo,?Hongwen Leng,?Chaolun Gu,?Qingrong Ding,?Lin Zhao,?Xinxin Chao,?Hanxia Wang,?Yueteng He,?Silu Zhu,?Guanhua Ai,?Weijie Peng

Abstract

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.

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