Aghdam Rosa, Habibi Mahnaz, Taheri Golnaz
School of Biological Sciences, Institute for Research in Fundamental Sciences (IPM), Tehran, Iran.
Department of Mathematics, Qazvin Branch, Islamic Azad University, Qazvin, Iran.
J Cheminform. 2021 Sep 20;13(1):70. doi: 10.1186/s13321-021-00553-9.
Coronavirus disease 2019 (COVID-19) is caused by a novel virus named Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). This virus induced a large number of deaths and millions of confirmed cases worldwide, creating a serious danger to public health. However, there are no specific therapies or drugs available for COVID-19 treatment. While new drug discovery is a long process, repurposing available drugs for COVID-19 can help recognize treatments with known clinical profiles. Computational drug repurposing methods can reduce the cost, time, and risk of drug toxicity. In this work, we build a graph as a COVID-19 related biological network. This network is related to virus targets or their associated biological processes. We select essential proteins in the constructed biological network that lead to a major disruption in the network. Our method from these essential proteins chooses 93 proteins related to COVID-19 pathology. Then, we propose multiple informative features based on drug-target and protein-protein interaction information. Through these informative features, we find five appropriate clusters of drugs that contain some candidates as potential COVID-19 treatments. To evaluate our results, we provide statistical and clinical evidence for our candidate drugs. From our proposed candidate drugs, 80% of them were studied in other studies and clinical trials.
2019冠状病毒病(COVID-19)由一种名为严重急性呼吸综合征冠状病毒2(SARS-CoV-2)的新型病毒引起。该病毒在全球导致大量死亡和数百万确诊病例,对公众健康构成严重威胁。然而,目前尚无针对COVID-19治疗的特异性疗法或药物。虽然新药研发是一个漫长的过程,但将现有药物重新用于COVID-19治疗有助于识别具有已知临床特征的治疗方法。计算药物重新利用方法可以降低药物毒性的成本、时间和风险。在这项工作中,我们构建了一个作为与COVID-19相关的生物网络的图。该网络与病毒靶点或其相关的生物学过程有关。我们在构建的生物网络中选择导致网络重大破坏的必需蛋白质。我们从这些必需蛋白质中选择了93种与COVID-19病理学相关的蛋白质。然后,我们基于药物-靶点和蛋白质-蛋白质相互作用信息提出了多个信息特征。通过这些信息特征,我们发现了五个合适的药物簇,其中包含一些作为潜在COVID-19治疗药物的候选药物。为了评估我们的结果,我们为我们的候选药物提供了统计和临床证据。在我们提出的候选药物中,80%在其他研究和临床试验中进行过研究。