von Eichborn Joachim, Murgueitio Manuela S, Dunkel Mathias, Koerner Soeren, Bourne Philip E, Preissner Robert
Charité - Universitätsmedizin Berlin, Institute for Physiology, Structural Bioinformatics Group, Lindenberger Weg 80, 13125 Berlin, Germany.
Nucleic Acids Res. 2011 Jan;39(Database issue):D1060-6. doi: 10.1093/nar/gkq1037. Epub 2010 Nov 10.
The procedure of drug approval is time-consuming, costly and risky. Accidental findings regarding multi-specificity of approved drugs led to block-busters in new indication areas. Therefore, the interest in systematically elucidating new areas of application for known drugs is rising. Furthermore, the knowledge, understanding and prediction of so-called off-target effects allow a rational approach to the understanding of side-effects. With PROMISCUOUS we provide an exhaustive set of drugs (25,000), including withdrawn or experimental drugs, annotated with drug-protein and protein-protein relationships (21,500/104,000) compiled from public resources via text and data mining including manual curation. Measures of structural similarity for drugs as well as known side-effects can be easily connected to protein-protein interactions to establish and analyse networks responsible for multi-pharmacology. This network-based approach can provide a starting point for drug-repositioning. PROMISCUOUS is publicly available at http://bioinformatics.charite.de/promiscuous.
药物审批程序耗时、成本高且有风险。已批准药物多特异性的意外发现催生了新适应症领域的重磅药物。因此，系统阐明已知药物新应用领域的兴趣正在上升。此外，对所谓脱靶效应的认识、理解和预测有助于合理理解副作用。通过PROMISCUOUS，我们提供了一套详尽的药物（25000种），包括撤市或实验性药物，并标注了通过文本和数据挖掘（包括人工整理）从公共资源中汇编的药物-蛋白质和蛋白质-蛋白质关系（21500/104000）。药物的结构相似性测量以及已知副作用可以很容易地与蛋白质-蛋白质相互作用联系起来，以建立和分析负责多药理学的网络。这种基于网络的方法可为药物重新定位提供一个起点。PROMISCUOUS可在http://bioinformatics.charite.de/promiscuous上公开获取。
