Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism, School of Pharmacy, East China University of Science and Technology, Shanghai, 200237, China.
Mol Inform. 2022 Sep;41(9):e2200001. doi: 10.1002/minf.202200001. Epub 2022 Apr 7.
Identification of disease-drug associations is an effective strategy for drug repurposing, especially in searching old drugs for newly emerged diseases like COVID-19. In this study, we put forward a network-based method named NEDNBI to predict disease-drug associations based on a gene-disease-drug tripartite network, which could be applied in drug repurposing. The novelty of our method lies in the fact that no negative data are required, and new disease could be added into the disease-drug network with gene as the bridge. The comprehensive evaluation results showed that the proposed method had good performance, with AUC value 0.948±0.009 for 10-fold cross validation. In a case study, 8 of the 20 predicted old drugs have been tested clinically for the treatment of COVID-19, which illustrated the usefulness of our method in drug repurposing. The source code and data of the method are available at https://github.com/Qli97/NEDNBI.
疾病-药物关联的鉴定是药物再利用的有效策略,特别是在搜索像 COVID-19 这样新出现的疾病的旧药物时。在这项研究中,我们提出了一种基于网络的方法 NEDNBI,该方法基于基因-疾病-药物三节点网络来预测疾病-药物关联,可应用于药物再利用。我们方法的新颖之处在于不需要负样本数据,并且可以通过基因作为桥梁将新的疾病添加到疾病-药物网络中。综合评估结果表明,该方法具有良好的性能,10 折交叉验证的 AUC 值为 0.948±0.009。在一个案例研究中,20 种预测的旧药物中有 8 种已在临床上用于治疗 COVID-19,这说明了我们方法在药物再利用中的有效性。该方法的源代码和数据可在 https://github.com/Qli97/NEDNBI 上获得。