以人工智能为基础的D-氨基酸替代物,用于优化抗菌,用于治疗多抗药性细菌感染
Yinuo Zhao1, Qingzhou Kong1, Haifan Gong1,2
1Department of Gastroenterology, Qilu Hospital of Shandong University, Cheeloo College of Medicine, Shandong University, Jinan, China.
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
|January 14, 2026
概括
我们开发了一种人工智能工具ADAPT,使用D-氨基酸替代物优化抗菌 (AMP). 这种人工智能驱动的方法有效地识别了具有增强稳定性和抗菌活性的强效AMP,加速了药物发现.
科学领域:
- 生物化学 生物化学
- 计算生物学 计算生物学
- 药物发现 药物发现 药物发现
背景情况:
- D-氨基酸替代增强了抗微生物 (AMP) 的稳定性.
- 针对优化AMP的传统查是低效和劳动密集的.
- 缺乏D-氨基酸替代的通用规则阻碍了AMP的发展.
研究的目的:
- 开发一种基于人工智能的工具 (ADAPT),用于预测AMP中D-氨基酸替代物的功能影响.
- 使用人工智能创建一个高吞吐量选管道,用于AMP优化.
- 发现具有改善治疗潜力的新型,稳定和强效AMP.
主要方法:
- 从文献和数据库中整理了D-氨基酸替代AMP的数据集.
- 开发并应用AI工具ADAPT用于功能影响预测.
- 将ADAPT集成到高吞吐量选管道中,以优化AMP.
- 进行了机械学研究和候选药物的体内疗效测试.
主要成果:
- 80%的人工智能选择的变种表现出增强的抗菌活性.
- 确定了dR2-1具有广泛的活性,降低了毒性和改善了稳定性.
- 证实了dR2-1.0的膜向抗菌机制.
- 在小鼠中使用水凝输送系统有效治疗皮肤感染.
结论:
- 建立了一个基于人工智能的框架,用于AMP中的D-氨基酸替代.
- 有效地发现强效和稳定的AMP候选物.
- 证明了AI优化的AMP和交付系统的临床翻译潜力.
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