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

被引:4
作者
Li, Sirui [1 ]
Wong, Kok Wai [1 ]
Zhu, Dengya [2 ]
Fung, Chun Che [1 ]
机构
[1] Murdoch Univ, Sch Informat Technol, South St, Murdoch, WA, Australia
[2] Curtin Univ, Sch Management & Mkt, Discipline Business Informat Syst, Kent St, Bentley, WA, Australia
关键词
Drug repurposing; Graph-based representation; COVID-19; Knowledge graph;
D O I
10.1007/s10115-023-01923-5
中图分类号
TP18 [人工智能理论];
学科分类号
081104 ; 0812 ; 0835 ; 1405 ;
摘要
Drug 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.
引用
收藏
页码:5289 / 5308
页数:20
相关论文
共 78 条
[1]   Knowledge Graph-Based Approaches to Drug Repurposing for COVID-19 [J].
Al-Saleem, Jacob ;
Granet, Roger ;
Ramakrishnan, Srinivasan ;
Ciancetta, Natalie A. ;
Saveson, Catherine ;
Gessner, Chris ;
Zhou, Qiongqiong .
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2021, 61 (08) :4058-4067
[2]   Deep Learning Applications for Predicting Pharmacological Properties of Drugs and Drug Repurposing Using Transcriptomic Data [J].
Aliper, Alexander ;
Plis, Sergey ;
Artemov, Artem ;
Ulloa, Alvaro ;
Mamoshina, Polina ;
Zhavoronkov, Alex .
MOLECULAR PHARMACEUTICS, 2016, 13 (07) :2524-2530
[3]   Drug repositioning: Identifying and developing new uses for existing drugs [J].
Ashburn, TT ;
Thor, KB .
NATURE REVIEWS DRUG DISCOVERY, 2004, 3 (08) :673-683
[4]  
Bordes A., 2013, Advances in Neural Information Processing Systems, V26, P1, DOI [10.5555/2999792.2999923, DOI 10.5555/2999792.2999923]
[5]   Computational Approaches for Drug Repositioning: Towards a Holistic Perspective based on Knowledge Graphs [J].
Boudin, Marina .
CIKM '20: PROCEEDINGS OF THE 29TH ACM INTERNATIONAL CONFERENCE ON INFORMATION & KNOWLEDGE MANAGEMENT, 2020, :3225-3228
[6]  
Broscheit S, 2020, PROCEEDINGS OF THE 2020 CONFERENCE ON EMPIRICAL METHODS IN NATURAL LANGUAGE PROCESSING: SYSTEM DEMONSTRATIONS, P165
[7]  
Cao B, 2020, NEW ENGL J MED, V382
[8]  
Cao ZS, 2022, AAAI CONF ARTIF INTE, P5521
[9]   Network graph representation of COVID-19 scientific publications to aid knowledge discovery [J].
Cernile, George ;
Heritage, Trevor ;
Sebire, Neil J. ;
Gordon, Ben ;
Schwering, Taralyn ;
Kazemlou, Shana ;
Borecki, Yulia .
BMJ HEALTH & CARE INFORMATICS, 2021, 28 (01)
[10]   Knowledge Graphs for COVID-19: An Exploratory Review of the Current Landscape [J].
Chatterjee, Avishek ;
Nardi, Cosimo ;
Oberije, Cary ;
Lambin, Philippe .
JOURNAL OF PERSONALIZED MEDICINE, 2021, 11 (04)