Bioinformatics Lab, Department of Computer Science, Cochin University of Science and Technology, Kochi, 682022, Kerala, India.
Department of Computer Science, College of Engineering, Vadakara, 673104, Kozhikkode, Kerala, India.
Mol Genet Genomics. 2020 Sep;295(5):1305-1314. doi: 10.1007/s00438-020-01702-9. Epub 2020 Jun 24.
Identifying the cause-and-effect mechanism behind the drug-disease associations is a challenging task. Recent studies indicate that microRNAs (miRNAs) play critical roles in human diseases. Targeting specific miRNAs with drugs to treat diseases provides a new aspect for drug repositioning. Drug repositioning provides a way to identify new clinical applications for approved drugs. Drug discovery is expensive and complicated. Therefore, computational methods are necessary for predicting the potential associations between drugs and diseases based on the target miRNAs. Our approach bilateral-inductive matrix completion (BIMC) performed two rounds of inductive matrix completion algorithm, one on the drug-miRNA and another on the miRNA-disease, association matrices, and integrated the results for predicting the drug-disease relationships through the target miRNAs. The fundamental idea of inductive matrix completion (IMC) is to fill the unknown entries of the association matrices by utilizing existing associations and side information. In our study, the integrated similarities of drugs, miRNAs, and diseases were utilized as side information. Our method predicts drug-miRNA and miRNA-disease associations, as intermediate results. To estimate the performance of our approach, we conducted leave-one-out cross-validation (LOOCV) experiments. The method could achieve AUC scores of 0.792, 0.759, and 0.791 in drug-disease, drug-miRNA, and miRNA-diseases association predictions. The results and case studies indicate the prediction ability of our method, and it is superior to previous models with high robustness. The proposed approach predicts new drug-disease relationships and the causal miRNAs. The top predicted relationships are the promising candidates, and they are released for further biological tests.
确定药物-疾病关联背后的因果机制是一项具有挑战性的任务。最近的研究表明,microRNAs (miRNAs) 在人类疾病中发挥着关键作用。用药物靶向特定的 miRNAs 来治疗疾病为药物重新定位提供了一个新的方面。药物重新定位为鉴定已批准药物的新临床应用提供了一种方法。药物发现既昂贵又复杂。因此,需要计算方法来预测基于靶 miRNAs 的药物和疾病之间的潜在关联。我们的双边诱导矩阵完成(BIMC)方法进行了两轮诱导矩阵完成算法,一轮在药物-miRNA 关联矩阵上,另一轮在 miRNA-疾病关联矩阵上,并通过靶 miRNAs 整合结果来预测药物-疾病关系。诱导矩阵完成(IMC)的基本思想是通过利用现有关联和辅助信息来填充关联矩阵的未知项。在我们的研究中,药物、miRNAs 和疾病的综合相似性被用作辅助信息。我们的方法预测药物-miRNA 和 miRNA-疾病关联,作为中间结果。为了评估我们方法的性能,我们进行了留一交叉验证(LOOCV)实验。该方法在药物-疾病、药物-miRNA 和 miRNA-疾病关联预测中可达到 0.792、0.759 和 0.791 的 AUC 得分。结果和案例研究表明了我们方法的预测能力,它具有较高的稳健性,优于以前的模型。所提出的方法预测新的药物-疾病关系和因果 miRNAs。预测的顶级关系是有前途的候选者,它们被释放出来进行进一步的生物学测试。