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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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从的方面了解PDE2/9a抑制剂的选择性机制

Pengfei Song1,2,3, Shizhun Wang1,2,3, Ruiheng Han4

  • 1Key Laboratory of Structure-Based Drug Design &Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang, People's Republic of China.

Journal of biomolecular structure & dynamics
|March 25, 2024
PubMed
概括

设计用于二酶 (PDE) 2A和PDE9A的选择性酶抑制剂是一项挑战. 这项研究使用计算方法揭示了为神经和心脏疾病制造高度选择性的PDE抑制剂的策略.

关键词:
这是PDE2A.在PDE9A中,我们可以使用PDE9A.分子对接的分子对接.分子动力学模拟模拟选择性机制是一种选择性机制.

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