Department of Computer Science and Information Technology, Institute for Advanced Studies in Basic Sciences (IASBS), Zanjan, Iran.
Department of QA, Kimia Zist Parsian Pharmaceutical Company, Zanjan, Iran.
PLoS One. 2024 Sep 4;19(9):e0309733. doi: 10.1371/journal.pone.0309733. eCollection 2024.
Combining different drugs synergistically is an essential aspect of developing effective treatments. Although there is a plethora of research on computational prediction for new combination therapies, there is limited to no research on combination therapies in the treatment of viral diseases. This paper proposes AI-based models for predicting novel antiviral combinations to treat virus diseases synergistically. To do this, we assembled a comprehensive dataset comprising information on viral strains, drug compounds, and their known interactions. As far as we know, this is the first dataset and learning model on combination therapy for viruses. Our proposal includes using a random forest model, an SVM model, and a deep model to train viral combination therapy. The machine learning models showed the highest performance, and the predicted values were validated by a t-test, indicating the effectiveness of the proposed methods. One of the predicted combinations of acyclovir and ribavirin has been experimentally confirmed to have a synergistic antiviral effect against herpes simplex type-1 virus, as described in the literature.
协同使用不同的药物是开发有效治疗方法的一个重要方面。尽管有大量关于计算预测新的联合治疗方法的研究,但在病毒疾病的治疗中,联合治疗的研究非常有限。本文提出了基于人工智能的模型,用于预测新型抗病毒联合疗法以协同治疗病毒疾病。为此,我们组装了一个包含病毒株、药物化合物及其已知相互作用信息的综合数据集。据我们所知,这是第一个关于病毒联合治疗的数据集和学习模型。我们的建议包括使用随机森林模型、支持向量机模型和深度模型来训练病毒联合治疗。机器学习模型表现出最高的性能,并且通过 t 检验验证了预测值,表明了所提出方法的有效性。文献中描述了一种阿昔洛韦和利巴韦林的预测组合,已被实验证实对单纯疱疹病毒 1 型具有协同抗病毒作用。