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增强ESIntraPT/ESInterPT型6-甲索基的抗氧化和抗炎活性:来自DFT/TD-DFT,分子对接和分子动力学模拟的见解

Xingzhu Tang1, Ye Wang2, Lingling Wang3,4,5

  • 1College of Science, Northeast Forestry University, Harbin 150040, China.

The journal of physical chemistry. A
|February 6, 2026
PubMed
概括

像6-甲基黄 (6-MF) 这样的天然黄类药物显示出作为抗氧化剂和抗炎剂的前景. 计算研究表明,激发状态的分子间质子转移 (ESInterPT) 增强了抗氧化活性,而型6-MF通过向COX-2来抑制炎症.

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