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对MTHFD1,MTHFD2和MTHFD2L的二氨基胺基抑制剂的选择性分析

Vibhu Jha1,2, Leif A Eriksson3

  • 1Department of Chemistry and Molecular Biology, University of Gothenburg, 405 30, Göteborg, Sweden.

Scientific reports
|September 10, 2024
PubMed
概括

开发用于癌症的选择性MTHFD2抑制剂是具有挑战性的,因为其与MTHFD1和MTHFD2L的结构相似. 计算建模揭示了设计向癌症治疗的关键相互作用.

关键词:
规范性变化 规范性变化基于二氨基皮里米丁的抑制剂分子对接是分子对接.分子动力学模拟模型基质结合部位是基质的结合部位.

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