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3D-QSAR与分子动力学模拟的结合,有效地设计了针对Spodoptera frugiperda的活跃瑞诺丁受体激动剂

Zhenwu Yu1,2, Yuting Huang1,2, Jiagao Cheng3

  • 1State Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Nankai University, Tianjin 300071, People's Republic of China.

Journal of agricultural and food chemistry
|October 30, 2023
PubMed
概括

研究人员使用分子建模设计了新的Spodoptera frugiperda氨酸受体 (RyR) 激动剂. 两种化合物,A-2和A-3,在对关键农业害虫的杀虫活性方面表现出与甲利相似的杀虫活性.

关键词:
3D-QSAR 是一个3D-QSAR.在MM-GBSA中使用.它们是花鸟 (Spodoptera frugiperda) 的种类.分子对接的分子对接.分子动力学模拟,分子动力学模拟氨酸受体是氨酸的受体综合合成是一种合成.

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