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结合NanaPPI工具箱和人工智能驱动的虚拟抑制剂查,用于p53-MDM2相互作用

Huijuan Liu¹, Hong Zhang², Saiyang Ding¹

¹State Key Laboratory of Crop Stress Biology for Arid Areas, College of Life Sciences,Northwest A&F University, Yangling 712100, Shanxi, China.

Analytical chemistry

|July 8, 2025

概括

我们开发了NaviScreen,这是一个人工智能驱动的平台,用于快速发现药物. 它通过将虚拟查与局部细胞检测相结合来识别强大的蛋白质-蛋白质相互作用抑制剂,如癌症治疗的AB-460.

科学领域:

生物化学生化学
分子生物学分子生物学
药物发现药物发现药物发现

背景情况:

蛋白与蛋白相互作用 (PPI) 在疾病中至关重要.
传统的PPI抑制剂查是耗时且昂贵的.
开发有效的方法来识别细胞透PPI抑制剂是必不可少的.

研究的目的:

开发一个有效的平台,用于发现细胞透性PPI抑制剂.
将人工智能驱动的虚拟查与现场蜂PPI量化集成.
为了确定针对p53-MDM2相互作用的新型抑制剂.

主要方法:

通过使用商业抗体进行局部细胞PPI量化,推进了NanaPPI技术.
集成的AI驱动的虚拟选与NanaPPI工具箱创建NaviScreen平台.
选了300万种化合物的库,以识别p53-MDM2抑制剂.

主要成果:

成功开发了NaviScreen平台,与95%以上的商用小鼠抗体兼容.
从大型化合物库中鉴定出一种强大的p53-MDM2抑制剂,AB-460.
证明AB-460通过调节p53和p21水平来抑制瘤细胞增殖并减少斑马鱼的瘤体积.

结论:

NaviScreen平台提供了一种高吞吐量和高效的策略,用于发现细胞透性和稳定的PPI抑制剂.
NaviScreen结合了虚拟查和现场细胞检测的优势,以加速药物发现.
已确定的p53-MDM2抑制剂,AB-460,显示了癌症治疗的治疗潜力.

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