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Updated: Sep 17, 2025

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量子化学建模,分子对接,和ADMET评价的伊米达芬诺提亚杂交物

Deepanjali Shukla1, Iqbal Azad1, Sabahat Yasmeen Sheikh1

  • 1Department of Chemistry, Integral University, Dasauli, P.O. Bas-ha, Kursi Road, Lucknow, UP, 226026, India.

Scientific reports
|July 3, 2025
PubMed
概括

这项研究开发了用于向癌症治疗的新型N替代性意达-提亚 (N-IPTZ) 杂交物. 混合N-IPTZ (c) 显示出对肝癌细胞有前途的抗癌活性,为现有治疗提供了更安全的替代方案.

关键词:
在 DFT 方面,它是最重要的.这是一种EGFR抑制剂.在 HepG2 细胞系中,伊米达 (Imidazole) 是一种药物.模拟MD的模拟方法分子对接是分子对接.芬诺提亚 (Phenothiazine) 是一种药物.

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