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Updated: Jan 16, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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新型THR-β激动剂的基于结构的设计以及通过分子动力学模拟的激活机制研究

Yang Gao1, Haoran Zhu1, Li-Xin Gao2

  • 1School of Pharmacy and Minhang Hospital, Fudan University, Shanghai 201203, China.

Bioorganic & medicinal chemistry
|September 27, 2025
PubMed
概括

一种新的甲状腺激素受体β (THR-β) 激动剂D4被开发用于研究代谢相关脂肪肝炎 (MASH). 分子动力学模拟揭示了一种新的激活机制,涉及动态盐桥继电器,对于稳定受体的活性状态至关重要.

关键词:
激进主义者的激进主义者代谢相关的脂肪肝炎 (MASH)分子动力学模拟的模拟.甲状腺激素受体β (THR-β) 是一种

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