探索NCATS内部的生物医学数据,以基于证据的药物重新利用
Fang Liu1, Andrew Patt2, Chloe Chen1
1Division of Rare Diseases Research Innovation, National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH), Bethesda, Maryland, United States of America.
PloS one
|January 25, 2024
概括
这项研究利用了21世纪毒理学 (Tox21) 计划和生物医学数据翻译器来识别新的药物重定向候选人. 数据整合使得一种系统的方法能够发现现有药物的新疗法应用.
科学领域:
- 生物医学信息学 生物医学信息学
- 药物发现 药物发现 药物发现
- 翻译科学 翻译科学
背景情况:
- 药物重定向确定了现有药物的新用途,超出了它们的原始指示.
- 传统上是偶然的,药物重定向现在受益于基于数据的方法,因为生物医学数据的可用性增加了.
- 国家翻译科学进步中心 (NCATS) 开发公共数据资源,以促进创新.
研究的目的:
- 为了证明NCATS的21世纪毒理学 (Tox21) 和生物医学数据翻译程序对药物重新利用的实用性.
- 整合互补的数据集,以进行系统的,数据驱动的候选药物识别过程.
主要方法:
- 利用Tox21计划中的生物试验选数据进行化学聚类.
- 从生物医学数据翻译器中提取的科学证据丰富化学集群.
- 应用综合数据来识别潜在的药物重用候选人.
主要成果:
- 产生了129个不同的化学集群.
- 确定了三个有前途的化学集群,作为药物重新定位候选人进行进一步调查.
- 详细的案例研究说明了药物重用识别过程.
结论:
- 使用Tox21和翻译器数据的综合方法有效地支持系统的药物重用.
- 这一数据驱动的战略提高了对现有化合物的新疗法应用的有效性和范围.
- 该方法提供了一个可扩展的框架,用于发现药物的新用途.
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