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开发新的ALOX15抑制剂,结合双机器学习过和片段替代优化方法,分子对接和动态模拟方法

Yinglin Liao1, Peng Cao2, Lianxiang Luo3,4

  • 1The First Clinical College, Guangdong Medical University, Zhanjiang, China.

Journal of enzyme inhibition and medicinal chemistry
|January 12, 2024
PubMed
概括

研究人员确定了阿拉基酸15-氧酶 (ALOX15) 的新抑制剂,这种抑制剂在铁中至关重要. 这一发现提供了针对ALOX15.5的新治疗策略,用于治疗与铁死相关的损伤.

关键词:
ALOX1515 的使用情况铁化是铁化的一种.机器学习是机器学习.分子动态模拟分子动态模拟虚拟选 虚拟选 虚拟选

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