通过基于结构的建模,通过支持向量机分类引导识别新型单胺氧化酶-B抑制剂,以治疗神经退行性疾病

Muhammad Shahab1, Jiazhuo Xiao1, Haoke Zhang2

  • 1Dongguan Key Laboratory of Computer-Aided Drug Design, The First Dongguan Affiliated Hospital, Guangdong Medical University, Dongguan 523710, China; Guangdong Medical University Key Laboratory of Big Data Mining and Precision Drug Design, Guangdong Provincial Key Laboratory for Research and Development of Natural Drugs, School of Pharmacy, Guangdong Medical University, Dongguan 523808, China.

概括

这项研究使用机器学习重新利用FDA批准的药物作为神经退行性疾病的新型单胺氧化酶-B (MAO-B) 抑制剂. 氨酸氨酸作为选择性MAO-B抑制剂显示出显著的前景,通过计算模拟验证.

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