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Updated: Jul 2, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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基于异构醇的新型尿素和氧化乙烯抗凝剂:MD模拟和ADMET预测

Marcin Gackowski1, Mateusz Jędrzejewski2,3, Sri Satya Medicharla4

  • 1Department of Toxicology and Bromatology, Faculty of Pharmacy, L. Rydygier Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University in Torun, A. Jurasza 2 Street, 85089 Bydgoszcz, Poland.

Pharmaceuticals (Basel, Switzerland)
|February 24, 2024
PubMed
概括

新型异维醇衍生物显示出作为抗凝剂治疗的XA因子 (FXa) 抑制剂的潜力. 分子动力学模拟确定了具有有利性质的有希望的候选药物,类似于现有的FXa抑制剂.

关键词:
在ADMET预测预测.激活的血液凝固因子X (FXa) 抑制剂抗凝固剂是一种抗凝固剂.这是骨维ओल.分子动力学 (MD) 模拟血栓形成的原因是血栓形成.

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