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A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions

机译:计算药物重新定位综述:策略,方法,机遇,挑战和方向

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Drug repositioning is the process of identifying novel therapeutic potentials for existing drugs and discovering therapies for untreated diseases. Drug repositioning, therefore, plays an important role in optimizing the pre-clinical process of developing novel drugs by saving time and cost compared to the traditional de novo drug discovery processes. Since drug repositioning relies on data for existing drugs and diseases the enormous growth of publicly available large-scale biological, biomedical, and electronic health-related data along with the high-performance computing capabilities have accelerated the development of computational drug repositioning approaches. Multidisciplinary researchers and scientists have carried out numerous attempts, with different degrees of efficiency and success, to computationally study the potential of repositioning drugs to identify alternative drug indications. This study reviews recent advancements in the field of computational drug repositioning. First, we highlight different drug repositioning strategies and provide an overview of frequently used resources. Second, we summarize computational approaches that are extensively used in drug repositioning studies. Third, we present different computing and experimental models to validate computational methods. Fourth, we address prospective opportunities, including a few target areas. Finally, we discuss challenges and limitations encountered in computational drug repositioning and conclude with an outline of further research directions.
机译:药物重新定位是鉴定现有药物的新疗效和发现未经处理的疾病治疗的过程。因此,药物重新定位在优化通过节省时间和成本与传统的De Novo药物发现过程相比,在优化开发新药的前临床前的过程中起着重要作用。由于药物重新定位依赖于现有药物的数据和疾病,因此公开的大规模生物学,生物医学和电子健康相关数据的巨大增长以及高性能计算能力加速了计算药物排雷方法的发展。多学科研究人员和科学家们已经进行了多次尝试,具有不同程度的效率和成功,以计算识别替代药物适应症重新定位药物的潜力。本研究审查了最近在计算药物重新定位领域的进步。首先,我们突出了不同的药物重新定位策略,并提供常用资源的概述。其次,我们总结了广泛用于药物重新定位研究的计算方法。第三,我们呈现不同的计算和实验模型来验证计算方法。第四,我们解决了未来的机会,包括一些目标领域。最后,我们讨论了计算药物重新定位遇到的挑战和限制,并在进一步的研究方向上结束。

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