Cockell Simon J, Weile Jochen, Lord Phillip, Wipat Claire, Andriychenko Dmytro, Pocock Matthew, Wilkinson Darren, Young Malcolm, Wipat Anil
Bioinformatics Support Unit, Institute for Cell and Molecular Biosciences, Newcastle University, Newcastle-upon-Tyne NE1 7RH, UK
J Integr Bioinform. 2010 Mar 25;7(3):471. doi: 10.2390/biecoll-jib-2010-116.
Drug development is expensive and prone to failure. It is potentially much less risky and expensive to reuse a drug developed for one condition for treating a second disease, than it is to develop an entirely new compound. Systematic approaches to drug repositioning are needed to increase throughput and find candidates more reliably. Here we address this need with an integrated systems biology dataset, developed using the Ondex data integration platform, for the in silico discovery of new drug repositioning candidates. We demonstrate that the information in this dataset allows known repositioning examples to be discovered. We also propose a means of automating the search for new treatment indications of existing compounds.
药物研发成本高昂且容易失败。将一种针对某一病症研发的药物重新用于治疗另一种疾病，其风险和成本可能比研发一种全新的化合物要低得多。需要采用系统性方法进行药物重新定位，以提高通量并更可靠地找到候选药物。在此，我们利用使用Ondex数据集成平台开发的综合系统生物学数据集来满足这一需求，用于在计算机上发现新的药物重新定位候选药物。我们证明，该数据集中的信息能够发现已知的重新定位实例。我们还提出了一种自动搜索现有化合物新治疗适应症的方法。
