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Updated: May 20, 2025

Microwave-Assisted Preparation of 1-Aryl-1H-pyrazole-5-amines
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皮拉-二醇衍生物的抗癌潜力:一种多学科的方法,结合了量子化学,光谱学和分子对接

S Selvakumar1, A Prabakaran2, P Manikandan3

  • 1Department of Physics, Vel Tech Rangarajan Dr. Sagunthala R & D Institute of Science & Technology, Avadi, Tamilnadu, India; Department of Physics, Sri Akilandeswari Women's College, Wandiwash, 604408, Tamilnadu, India.

Biochemical and biophysical research communications
|May 18, 2025
PubMed
概括

这项研究研究了一种用于药物开发的新型pyrazole-triazole化合物 (3EMPT),使用计算和光谱方法分析其光学,电子和生物特性. 对接研究显示,对1AH6蛋白具有有前途的结合亲和力.

关键词:
在 DFT 方面,它是最重要的.与药物相似的情况.分子对接是分子对接.皮拉 - - 特里亚 (Pyrazole-triazole) 是一种可靠的药物.综合合成 综合合成

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