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Updated: Feb 28, 2026

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分子对接和MD建模技术用于开发新型ROS1激酶抑制剂

Mohammad Jahoor Alam1, Arshad Jamal1, Shaik Daria Hussain2

  • 1Department of Biology, College of Science, University of Ha'il, Ha'il 2440, Saudi Arabia.

Pharmaceuticals (Basel, Switzerland)
|February 27, 2026
PubMed
概括

这项研究确定了四种新型候选药物,它们有效对抗突变的ROS1,这是化学疗法耐药性的关键因素. 这些化合物显示出在癌症治疗中克服对酶抑制剂 (如crizotinib) 的耐药性的前景.

关键词:
模拟MD的模拟方法在MM-GBSA中使用.在ROS1上,它是ROS1的.克里佐丁尼布 (crizotinib) 的使用方法分子对接的分子对接.

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