Drug-CoV: a drug-origin knowledge graph discovering drug repurposing targeting COVID-19

Abstract

AbstractDrug repurposing is a technique for probing new usages of existing medicines, but its traditional methods, such as computational approaches, can be time-consuming and laborious. Recently, knowledge graphs (KGs) have emerged as a powerful approach for graph-based representation in drug repurposing, encoding entities and relations to predict new connections and facilitate drug discovery. As COVID-19 has become a major public health concern, it is critical to establish an appropriate COVID-19 KG for drug repurposing to combat the spread of the virus. However, most publicly available COVID-19 KGs lack support for multi-relations and comprehensive entity types. Moreover, none of them originates from COVID-19-related drugs, making it challenging to identify effective treatments. To tackle these issues, we developed Drug-CoV, a drug-origin and multi-relational COVID-19 KG. We evaluated the quality of Drug-CoV by performing link prediction and comparing the results to another publicly available COVID-19 KG. Our results showed that Drug-CoV outperformed the comparing KG in predicting new links between entities. Overall, Drug-CoV represents a valuable resource for COVID-19 drug repurposing efforts and demonstrates the potential of KGs for facilitating drug discovery.