Evidence based computational drug repositioning candidate screening pipeline design: Case Study

Qian Zhu, Hongfang Liu, Yuji Zhang, Jiabei Wang
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引用次数: 1

Abstract

Traditional drug development is time and cost consuming process, conversely, drug repositioning is an emerging approach to discover novel usages of existing drugs with a better risk-versus-reward trade-off. Computational technology is playing a key role in drug repositioning to screening the best drug repositioning candidates from a large candidate library. Recent efforts made for computer aided drug repositioning are mostly focusing on applying/developing data mining algorithms against wild type of large scale of biomedical data. In this paper, we introduce a novel computational pipeline designed for drug repositioning candidate screening based on existing phenotypical association (disease-disease association) discovery and pathway enrichment analysis by exploring systems biology data relevant to the interested phenotypical association specifically. To demonstrate usability and evaluate efficacy of this novel pipeline, we successfully conducted a case study by identifying potential drug repositioning candidates for Alzheimer's disease (AD) based on the studied phenotypical association between cancer and AD.
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基于证据的计算药物重新定位候选筛选管道设计:案例研究
传统的药物开发是一个耗时耗钱的过程,相反,药物重新定位是一种新兴的方法,发现现有药物的新用途,具有更好的风险与回报权衡。计算技术在药物重新定位中起着关键作用,从大量的候选药物库中筛选出最佳的候选药物。最近在计算机辅助药物重新定位方面的努力主要集中在应用/开发针对野生型大规模生物医学数据的数据挖掘算法。在本文中,我们引入了一种新的计算管道,通过探索与感兴趣的表型关联相关的系统生物学数据,基于现有的表型关联(疾病-疾病关联)发现和途径富集分析,设计用于药物重定位候选筛选。为了证明这一新管道的可用性并评估其有效性,我们成功地进行了一项案例研究,根据研究的癌症与AD之间的表型关联,确定了阿尔茨海默病(AD)的潜在药物重新定位候选药物。
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