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Updated: Feb 10, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Published on: May 9, 2025

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用GPU加速的虚拟选和分子动力学模拟用于识别新型DPP-4抑制剂

Nathaly Vasquez-Martínez1, Jonathan Trapala2, Laura I Álvarez-Añorve1

  • 1Departamento de Bioquímica, Facultad de Medicina, Universidad Nacional Autónoma de México, Ciudad de México 04510, México.

ACS omega
|February 9, 2026
PubMed
概括

新的计算方法确定了2型糖尿病的新型二二酶4 (DPP-4) 抑制剂. 与现有药物相比,化合物EPZ005687,OSU-03012和贝姆森提尼布显示出高效率和改善细胞吸收.

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