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Updated: May 10, 2025

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
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PARP-1 抑制剂的计算设计:QSAR,分子对接,虚拟选,ADMET和分子动力学模拟用于向药物开发

N Najafi1, M H Fatemi1

  • 1Laboratory of Chemometrics, Faculty of Chemistry, University of Mazandaran, Babolsar, Iran.

SAR and QSAR in environmental research
|April 28, 2025
PubMed
概括

研究人员使用fthalazinone支架确定了新的Poly (ADP-ribose) 聚合酶-1 (PARP-1) 抑制剂. 这些化合物显示出治疗具有DNA修复缺陷的癌症的巨大潜力,包括乳腺癌和卵巢癌.

关键词:
这是一种PARP-1抑制剂.在QSAR中使用QSAR.抗癌治疗药物 抗癌治疗药物分子对接的分子对接.分子动力学分子动力学虚拟选 虚拟选 虚拟选

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