Department of Computer Science & Engineering Amrita, University Bengaluru, India.
Brief Bioinform. 2019 Jan 18;20(1):299-316. doi: 10.1093/bib/bbx125.
Drug repurposing (a.k.a. drug repositioning) is the search for new indications or molecular targets distinct from a drug's putative activity, pharmacological effect or binding specificities. With the ever-increasing rates of termination of drugs in clinical trials, drug repositioning has risen as one of the effective solutions against the risk of drug failures. Repositioning finds a way to reverse the grim but real trend that Eroom's law portends for the pharmaceutical and biotech industry, and drug discovery in general. Further, the advent of high-throughput technologies to explore biological systems has enabled the generation of zeta bytes of data and a massive collection of databases that store them. Computational analytics and mining are frequently used as effective tools to explore this byzantine series of biological and biomedical data. However, advanced computational tools are often difficult to understand or use, thereby limiting their accessibility to scientists without a strong computational background. Hence it is of great importance to build user-friendly interfaces to extend the user-base beyond computational scientists, to include life scientists who may have deeper chemical and biological insights. This survey is focused on systematically presenting the available Web-based tools that aid in repositioning drugs.
药物重定位(又名药物再定位)是指寻找与药物假定活性、药理学效应或结合特异性不同的新适应症或分子靶标。随着临床试验中药物终止率的不断上升,药物重定位已成为应对药物失败风险的有效解决方案之一。重定位找到了一种方法来扭转 Eroom 定律预示的制药和生物技术行业以及一般药物发现的严峻但现实的趋势。此外,高通量技术的出现使得探索生物系统成为可能,从而产生了大量的生物和生物医学数据,并存储在大量的数据库中。计算分析和挖掘经常被用作探索这一系列复杂的生物和生物医学数据的有效工具。然而,先进的计算工具往往难以理解或使用,从而限制了没有强大计算背景的科学家的使用。因此,构建用户友好的界面以将用户群扩展到计算科学家之外,包括可能具有更深化学和生物学见解的生命科学家,这一点非常重要。本调查侧重于系统地展示有助于药物重定位的可用网络工具。