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Updated: Jun 29, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

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3D-QSAR和分子动力学研究伊索克萨衍生物,以确定Farnesoid X受体 (FXR) 激活剂的结构要求

Dan Yan1,2, Yueying Yang1, Hanxiao Shen1

  • 1Institute of Pharmaceutical Innovation, Hubei Province Key Laboratory of Occupational Hazard Identification and Control, School of Medicine, Wuhan University of Science and Technology, Wuhan 430065, China.

Molecules (Basel, Switzerland)
|March 28, 2024
PubMed
概括

开发用于非酒精性脂肪肝疾病 (NAFLD) 的新型法尔内索伊德X受体 (FXR) 激动剂具有挑战性. 这项研究使用了分子建模来识别强大的FXR激动剂的关键结构特征和相互作用,从而设计出改进的候选药物.

关键词:
3D-QSAR 是一个3D-QSAR.法恩索伊德的X受体是什么分子动力学分子动力学非酒精性脂肪性肝病是非酒精性脂肪性肝病.

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