Bakar Computational Health Sciences Institute, University of California, San Francisco, CA 94158, USA.
Gladstone Institutes, San Francisco, CA 94158, USA.
Trends Pharmacol Sci. 2019 Aug;40(8):565-576. doi: 10.1016/j.tips.2019.06.003. Epub 2019 Jul 17.
Computational drug repurposing has the ability to remarkably reduce drug development time and cost in an era where these factors are prohibitively high. Several examples of successful repurposed drugs exist in fields such as oncology, diabetes, leprosy, inflammatory bowel disease, among others, however computational drug repurposing in neurodegenerative disease has presented several unique challenges stemming from the lack of validation methods and difficulty in studying heterogenous diseases of aging. Here, we examine existing approaches to computational drug repurposing, including molecular, clinical, and biophysical methods, and propose data sources and methods to advance computational drug repurposing in neurodegenerative disease using Alzheimer's disease as an example.
计算药物再利用在药物开发时间和成本方面具有显著降低的能力,而在当前时代,这些因素高得令人望而却步。在肿瘤学、糖尿病、麻风病、炎症性肠病等领域,已经有一些成功的再利用药物的例子,但在神经退行性疾病的计算药物再利用方面,由于缺乏验证方法和难以研究老龄化的异质疾病,提出了一些独特的挑战。在这里,我们研究了现有的计算药物再利用方法,包括分子、临床和生物物理方法,并提出了使用阿尔茨海默病作为示例来推进神经退行性疾病计算药物再利用的数据源和方法。
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