Department of Computer Science, Faculty of Mathematics, Statistics and Computer Science, University of Tabriz, Tabriz, Iran.
Research Center for Pharmaceutical Nanotechnology, Biomedicine Institute, Tabriz University of Medical Sciences, Tabriz, Iran.
BMC Bioinformatics. 2023 Nov 22;24(1):442. doi: 10.1186/s12859-023-05572-x.
Drug repurposing is an exciting field of research toward recognizing a new FDA-approved drug target for the treatment of a specific disease. It has received extensive attention regarding the tedious, time-consuming, and highly expensive procedure with a high risk of failure of new drug discovery. Data-driven approaches are an important class of methods that have been introduced for identifying a candidate drug against a target disease. In the present study, a model is proposed illustrating the integration of drug-disease association data for drug repurposing using a deep neural network. The model, so-called IDDI-DNN, primarily constructs similarity matrices for drug-related properties (three matrices), disease-related properties (two matrices), and drug-disease associations (one matrix). Then, these matrices are integrated into a unique matrix through a two-step procedure benefiting from the similarity network fusion method. The model uses a constructed matrix for the prediction of novel and unknown drug-disease associations through a convolutional neural network. The proposed model was evaluated comparatively using two different datasets including the gold standard dataset and DNdataset. Comparing the results of evaluations indicates that IDDI-DNN outperforms other state-of-the-art methods concerning prediction accuracy.
药物重定位是一项令人兴奋的研究领域,旨在发现新的 FDA 批准的药物靶点,用于治疗特定疾病。它受到了广泛关注,因为新药发现的过程繁琐、耗时且非常昂贵,而且失败的风险很高。数据驱动的方法是一种重要的方法类别,已经被引入用于识别针对目标疾病的候选药物。在本研究中,提出了一种使用深度神经网络进行药物重定位的药物-疾病关联数据集成模型。该模型称为 IDDI-DNN,主要构建药物相关属性(三个矩阵)、疾病相关属性(两个矩阵)和药物-疾病关联(一个矩阵)的相似性矩阵。然后,通过相似网络融合方法的两步过程将这些矩阵集成到一个独特的矩阵中。该模型通过卷积神经网络使用构建的矩阵来预测新的和未知的药物-疾病关联。通过使用包括金标准数据集和 DNdataset 在内的两个不同数据集进行评估,比较了该模型的结果,表明 IDDI-DNN 在预测准确性方面优于其他最先进的方法。