COVID-19 Knowledge Extractor (COKE): A Curated Repository of Drug-Target Associations Extracted from the CORD-19 Corpus of Scientific Publications on COVID-19

被引:3
|
作者
Korn, Daniel [1 ,2 ]
Pervitsky, Vera [2 ]
Bobrowski, Tesia [2 ]
Alves, Vinicius M. [3 ]
Schmitt, Charles [3 ]
Bizon, Chris [4 ]
Baker, Nancy [5 ]
Chirkova, Rada [6 ]
Cherkasov, Artem [7 ]
Muratov, Eugene [2 ]
Tropsha, Alexander [2 ]
机构
[1] Univ N Carolina, Dept Comp Sci, Chapel Hill, NC 27599 USA
[2] Univ N Carolina, Div Chem Biol & Med Chem, Lab Mol Modeling, UNC Eshelman Sch Pharm, Chapel Hill, NC 27599 USA
[3] NIEHS, Off Data Sci, Natl Toxicol Program, Morrisville, NC 27560 USA
[4] Univ N Carolina, Renaissance Comp Inst, Chapel Hill, NC 27599 USA
[5] ParlezChem, Hillsborough, NC 27278 USA
[6] North Carolina State Univ, Dept Comp Sci, Raleigh, NC 27606 USA
[7] Univ British Columbia, Vancouver Prostate Ctr, Vancouver, BC V6H 3Z6, Canada
基金
美国国家卫生研究院;
关键词
CORONAVIRUS; REPLICATION; VERIFY; TRUST;
D O I
10.1021/acs.jcim.1c01285
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
The COVID-19 pandemic has catalyzed a widespread effort to identify drug candidates and biological targets of relevance to SARS-COV-2 infection, which resulted in large numbers of publications on this subject. We have built the COVID-19 Knowledge Extractor (COKE), a web application to extract, curate, and annotate essential drug-target relationships from the research literature on COVID-19. SciBiteAI ontological tagging of the COVID Open Research Data set (CORD-19), a repository of COVID-19 scientific publications, was employed to identify drug-target relationships. Entity identifiers were resolved through lookup routines using UniProt and DrugBank. A custom algorithm was used to identify co-occurrences of the target protein and drug terms, and confidence scores were calculated for each entity pair. COKE processing of the current CORD-19 database identified about 3000 drug-protein pairs, including 29 unique proteins and 500 investigational, experimental, and approved drugs. Some of these drugs are presently undergoing clinical trials for COVID-19. The COKE repository and web application can serve as a useful resource for drug repurposing against SARS-CoV-2. COKE is freely available at https://coke.mml.unc.edu/, and the code is available at https://github.com/DnlRKorn/CoKE.
引用
收藏
页码:5734 / 5741
页数:8
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