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Updated: Feb 12, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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Published on: June 20, 2025

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从Artemisia scoparia中发现新型抗氧化剂Scoparioate A的发现和结构阐明,使用光谱分析和DFT计算技术进行分析

Irshad Yasmin1, Ehab A Abdelrahman2, Bushra1

  • 1Institute of Chemical Sciences, Gomal University, Dera Ismail Khan, KPK, Pakistan.

Natural product research
|February 10, 2026
PubMed
概括

从Artemisia scoparia中分离出来的新化合物Scoparioate A显示出强大的抗氧化活性. 使用密度函数理论 (DFT) 的计算分析支持其电子捐赠能力和反应性.

关键词:
阿尔特梅西亚花 (Artemisia scoparia) 是一种有趣的植物.在DFT研究中,研究人员对DFT进行了研究.DPPH 激素的作用是什么?斯科帕里亚特 A 型植物化学品 植物化学品频谱学分析的分析.

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