Design and screening of novel 1,2,4-Triazole-3-thione derivatives as DCN1 inhibitors for anticardiac fibrosis based on 3D-QSAR modeling and molecular dynamics

ObjectiveDefective in cullin neddylation 1 (DCN1) plays a pivotal role in anticardiac fibrosis by interacting with UBC12 and catalyzing cullin neddylation, which activates cullin-RING E3 ligases (CRLs). As a key modulator of anticardiac fibrosis, DCN1 has emerged as an attractive target for therapeu...

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Bibliographic Details
Main Authors: Wengong Bian, Yaxin Guo
Format: Article
Language:English
Published: Frontiers Media S.A. 2025-06-01
Series:Frontiers in Pharmacology
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Online Access:https://www.frontiersin.org/articles/10.3389/fphar.2025.1590711/full
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