Drug Repurposing for the Treatment of COVID-19: A Knowledge Graph Approach

Yan，Vincent K.C.1; Li，Xiaodong2; Ye，Xuxiao1; Ou，Min2; Luo，Ruibang2; Zhang，Qingpeng3; Tang，Bo4; Cowling，Benjamin J.5; Hung，Ivan6; Siu，Chung Wah7; Wong，Ian C.K.1,8,9,10,11; Cheng，Reynold C.K.2; Chan，Esther W.1,8,9,10

2021

10.1002/adtp.202100055

Advanced Therapeutics   影响因子和分区

2366-3987

Identifying effective drug treatments for COVID-19 is essential to reduce morbidity and mortality. Although a number of existing drugs have been proposed as potential COVID-19 treatments, effective data platforms and algorithms to prioritize drug candidates for evaluation and application of knowledge graph for drug repurposing have not been adequately explored. A COVID-19 knowledge graph by integrating 14 public bioinformatic databases containing information on drugs, genes, proteins, viruses, diseases, symptoms and their linkages is developed. An algorithm is developed to extract hidden linkages connecting drugs and COVID-19 from the knowledge graph, to generate and rank proposed drug candidates for repurposing as treatments for COVID-19 by integrating three scores for each drug: motif scores, knowledge graph PageRank scores, and knowledge graph embedding scores. The knowledge graph contains over 48 000 nodes and 13 37 000 edges, including 13 563 molecules in the DrugBank database. From the 5624 molecules identified by the motif-discovery algorithms, ranking results show that 112 drug molecules had the top 2% scores, of which 50 existing drugs with other indications approved by health administrations reported. The proposed drug candidates serve to generate hypotheses for future evaluation in clinical trials and observational studies.

COVID-19 drug repurposing knowledge graph motif scores ranking

SCI

英语

其他

WOS:000652290000001

2-s2.0-85106031582

Scopus

1.Centre for Safe Medication Practice and Research,Department of Pharmacology and Pharmacy,LKS Faculty of Medicine,University of Hong Kong,Pokfulam,Hong Kong Special Administrative Region, 1/F, Jockey Club Building for Interdisciplinary Research, 5 Sassoon Road,Hong Kong
2.Department of Computer Science,Faculty of Engineering,University of Hong Kong,Pokfula,Hong Kong Special Administrative Region, CB303, Chow Yei Ching Building,Hong Kong
3.School of Data Science,City University of Hong Kong,Kowloon,Hong Kong Special Administrative Region, 83 Tat Chee Avenue,Hong Kong
4.Department of Computer Science and Engineering,Southern University of Science and Technology,Shenzhen,1088 Xueyuan Avenue, Nanshan District,518055,China
5.Division of Epidemiology and Biostatistics,School of Public Health,University of Hong Kong,Pokfulam,Hong Kong Special Administrative Region, 21 Sassoon Road,Hong Kong
6.Division of Infectious Diseases,Department of Medicine,LKS Faculty of Medicine,University of Hong Kong,Hong Kong Special Administrative Region, 102 Pokfulam Road,Hong Kong
7.Division of Cardiology,Department of Medicine,University of Hong Kong,Hong Kong Special Administrative Region, 102 Pokfulam Road,Hong Kong
8.Laboratory of Data Discovery for Health,12/F, Building 19W, 19 Science Park West Avenue,Hong Kong
9.Department of Pharmacy,The University of Hong Kong-Shenzhen Hopsital,Shenzhen,1 Haiyuanyi Road, Futian District,518009,China
10.Shenzhen Institute of Research and Inovation,The University of Hong Kong,Shenzhen,5/F, Key Laboratory Platform Building, Shenzhen Virtual University Park No.6, Nanshan,518057,China
11.UCL School of Pharmacy,London,29–39 Brunswick Square,United Kingdom

Yan，Vincent K.C.,Li，Xiaodong,Ye，Xuxiao,et al. Drug Repurposing for the Treatment of COVID-19: A Knowledge Graph Approach[J]. Advanced Therapeutics,2021.

Yan，Vincent K.C..,Li，Xiaodong.,Ye，Xuxiao.,Ou，Min.,Luo，Ruibang.,...&Chan，Esther W..(2021).Drug Repurposing for the Treatment of COVID-19: A Knowledge Graph Approach.Advanced Therapeutics.

Yan，Vincent K.C.,et al."Drug Repurposing for the Treatment of COVID-19: A Knowledge Graph Approach".Advanced Therapeutics (2021).