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Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
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通过AlphaFold2驱动的药物重新定位策略加速对疾病X的药物发现

Huixuan Zhao1, Wentao Qi1, Ke Liu1,2

  • 1Institute of Frontier Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Qingdao 266237, China. huxueping@sdu.edu.cn.

Physical chemistry chemical physics : PCCP
|September 22, 2025
PubMed
概括

针对疾病X的新药发现策略使用AlphaFold和分子对接来选FDA批准的药物. 戈塞林被确定为对抗SARS-CoV-2主要蛋白酶的潜在化合物.

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