由人工智能策划的基因编码的天然多样化成分库,来自草药
Wei Chen1,2, Zhiyin Yu1,2, Liang Leng1,2
1Innovative Institute of Chinese Medicine and Pharmacy, Chengdu University of Traditional Chinese Medicine, Chengdu 611137, China.
Innovation (Cambridge (Mass.))
|February 2, 2026
概括
基因编码自然多样成分库 (GNDC) 是一个新的,广泛的数据库,列出了超过2.34亿种自然成分. 这种资源通过提供大量的,人工智能注释的自然产品集合,显著地推动了药物发现.
科学领域:
- 生物技术是生物技术.
- 生物信息学是一种生物信息学.
- 药物发现 药物发现 药物发现
背景情况:
- 由于其生物活性,天然产品对于药物发现至关重要.
- 现有的自然成分资源的范围和规模有限.
研究的目的:
- 引入基因编码自然多样成分存储库 (GNDC),这是自然成分最广泛的数据库.
- 为了促进大规模发现和注释自然产品使用多omics数据和AI.
主要方法:
- 开发定制管道用于高通量多omics数据分析.
- 集成的人工智能技术用于自然成分的注释和分类.
- 汇编了来自八个全球药典中列出的物种的数据和多种资源数据.
主要成果:
- 在四个子数据库中,GNDC编目了超过2.34亿个自然成分:HerbalMDB,HerbalPDB,HerbalRDB和HerbalCDB.
- 与现有资源相比,组件产量增加了10倍,确定了超过2亿个新组件.
- 集成的人工智能工具用于高级注释,包括对二次代谢物的基因表达签名生成.
结论:
- GNDC代表了用于药物发现的自然成分目录的重大进步.
- 该数据库准备将药物发现转向大数据驱动的范式.
- 此外,GNDC将加快新型自然产品的识别和利用.
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