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使用碎片杂交,分子对接和分子动力学研究来设计用于癌症的新Mcl-1抑制剂

Abdulrahim A Alzain1, Fatima A Elbadwi1, Rua M Mukhtar1

  • 1Department of Pharmaceutical Chemistry, Faculty of Pharmacy, University of Gezira, Wad Madani, Sudan.

Journal of biomolecular structure & dynamics
|November 14, 2023
PubMed
概括

计算方法确定了10种针对癌症治疗的新型化合物,这些化合物针对1型髓性白血病 (Mcl-1). 这些Mcl-1抑制剂显示出有前途的结合亲和力和有利的药理动力学,可能加速药物发现.

关键词:
癌症 癌症 癌症 癌症一个新的设计.在mcl-1中使用.分子对接的分子对接.分子动力学模拟模拟

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