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Updated: Jul 28, 2025

HKUST-1 as a Heterogeneous Catalyst for the Synthesis of Vanillin
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合成,光谱检测,分子对接,ADME/T毒性预测和DFT研究两种时尚的基于香草素的骨架

Dhrubajyoti Majumdar1,2, Amit Dubey3,4, Aisha Tufail3

  • 1Department of Chemistry, Tamralipta Mahavidyalaya, Tamluk, 721636, West Bengal, India.

Heliyon
|May 30, 2023
PubMed
概括

合成和表征了两种新的萨伦型联结体. 计算研究和分子对接证实了它们的潜在抗微生物活性,其中一个配体由于基的作用显示出更高的毒性.

关键词:
ADME/TT 在这里.在 DFT 方面,它是最重要的.分子对接是分子对接.分子动力学分子动力学盐联结物盐联结物有毒性 有毒性

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