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Updated: Jun 12, 2025

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探索酸盐激酶的潜在基激活剂:从分子对接,DFT和动态模拟研究的见解

Chandu Ala1, Ishan Shrinivas Shet Honavarkar1, Raul Sheldon Pinto2

  • 1Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science Pilani, Pilani Campus, Pilani, 333031, Rajasthan, India.

Computers in biology and medicine
|June 10, 2025
PubMed
概括

研究人员确定了Z169572442和Z432281300的新型化合物,这些化合物显示出作为酸盐激酶 (PK) 激活剂的潜力. 这些发现为开发新的状细胞疾病 (SCD) 疗法提供了有希望的途径.

关键词:
艾洛斯特基激活剂 艾洛斯特基激活剂密度函数理论密度函数理论分子对接是分子对接.分子动力学模拟模型皮鲁酸激酶是一种酸激酶.状细胞疾病是一种状细胞疾病.

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