建设兽医药物银行和药物重新使用
Qingyan Tian1,2,3, Daozhong Wang1,2,4, Yanfei Zhang1,2,5
1State Key Laboratory of Agricultural Microbiology, College of Veterinary Medicine, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
Journal of chemical information and modeling
|August 1, 2025
概括
一个新的数据库,兽医药物银行 (VDB),整合了兽医药物信息,以支持人工智能驱动的发现. VDB促进了对抗寄生虫药物Eprinomectin和Selamectin作为猪流行性腹病毒 (PEDV) 的潜在治疗方法的重新使用.
科学领域:
- 兽医药理学 兽医药理学
- 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:
- 人工智能驱动的药物发现需要综合数据,但兽医缺乏系统的药物-疾病-点信息.
- 现有的兽药数据在多个资源中分散,阻碍了有效的分析和AI应用.
研究的目的:
- 建立兽医药物银行 (VDB) 以系统地整合兽医药物信息.
- 以猪流行性腹病毒 (PEDV) 为案例研究,证明VDB在人工智能驱动的兽医疾病药物重定位中的实用性.
主要方法:
- 将PubChem,VSDB,FDA绿皮书,TTD和Papich手册中的多源数据集成到VDB中.
- 描述了891种兽医药物,包括属性,标,适用情况 (ATCvet) 和相关疾病 (ICD-11).
- 通过评估兽医药物和PEDV的抗冠状病毒化合物之间的相似性,进行了药物重用.
主要成果:
- VDB系统地描述了891种兽医药物,271种向药物,超过50种动物物种,956种适应症和904种疾病.
- 确定了两种抗寄生虫药物,即埃普里诺麦丁和塞拉麦丁,在体外表现出对PEDV的抗病毒活性.
- 通过VDB.成功地证明了对兽医应用的药物重新定位.
结论:
- 兽医药物银行 (VDB) 为人工智能驱动的兽医药物发现和开发提供了坚实的基础.
- 药物重新用途在兽医中具有重大潜力,如反PEDV剂的识别所示.
- 通过支持人工智能驱动的药物设计和数据分析,VDB加速了新型兽医疗药物的开发.
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