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基于LSD1的可逆抑制剂虚拟查和结合机制计算研究 计算研究

Zhili Yin1, Shaohui Liu1, Xiaoyue Yang1

  • 1School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou 450001, China.

Molecules (Basel, Switzerland)
|July 29, 2023
PubMed
概括

研究人员确定了新型的可逆抑制剂,用于基因素氨酸特异性脱甲基酶1 (LSD1),这是癌症的关键表观遗传标. 这些化合物表现出强烈的结合亲和力,为药物设计提供新的治疗策略和见解.

关键词:
这是一种LSD1抑制剂.具有约束力的自由能源计算.分子对接的分子对接.分子动力学模拟,分子动力学模拟药物学家模型的模型.虚拟选 虚拟选 虚拟选

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