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综合分子对接和分子动力学揭示HER2 L755S,T798I和T798M的抑制剂,基于库尔库衍生物的大数据库

Mantiqa Syafa Duvadillan Gusrin1, Yonika Arum Larasati2, Rohmad Yudi Utomo3

  • 1Graduate School of Master of Pharmaceutical Sciences, Faculty of Pharmacy, Universitas Gadjah Mada, Indonesia.

Asian Pacific journal of cancer prevention : APJCP
|January 22, 2026
PubMed
概括

这项研究使用虚拟查来发现针对特定HER2突变 (L755S,T798I,T798M) 的新黄素衍生物. 两个化合物CHEMBL3758656和CHEMBL3827366显示出作为乳腺癌治疗的HER2抑制剂的希望.

关键词:
在HER2中,HER2是HER2.分子动力学分子动力学分子对接是分子对接.库尔库明是一种黄素.拉帕提尼布 (lapatinib) 是一种治疗方法.

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