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对A型流感病毒有力核蛋白抑制剂的计算发现:通过QM/MM分析和实验性结合试验进行验证

Zixiao Liu1,2, Jialin Guo2, Chao Zhang2

  • 1Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China.

Molecules (Basel, Switzerland)
|October 16, 2025
PubMed
概括

研究人员使用计算查发现了新的流感A病毒 (IAV) 核蛋白 (NP) 抑制剂. 三种化合物显示出强烈的目标参与,为广泛的抗流感药物开发铺平了道路.

关键词:
在MM-GBSA中使用.流感A型病毒感染者分子动力学分子动力学核蛋白质核蛋白质是一种核蛋白质.表面的等离子体共振.

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