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Updated: Jul 16, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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作为5-HT2AR联体的甲基的分子对接评估:开发基于结构的预测生物活性构造和三维结构-活动关系模型,以未来识别滥用药物的模型

Nevena Tomašević1, Maja Vujović2, Emilija Kostić2

  • 1Kragujevac Center for Computational Biochemistry, Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovića 12, P.O. Box 60, 34000 Kragujevac, Serbia.

Molecules (Basel, Switzerland)
|September 9, 2023
PubMed
概括

这项研究使用分子对接和3D QSAR来预测丁与5-HT2AR受体的相互作用. 这些模型可以早期识别潜在的迷幻化合物,节省时间和资源.

关键词:
这是一个3D QSAR.5-HT2AR是一种5-HT2AR.卡西诺酸 (cathinones) 是一种有毒的物质.分子对接的分子对接.

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