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COVID-19 Knowledge Extractor (COKE): A Curated Repository of Drug-Target Associations Extracted from the CORD-19 Corpus of Scientific Publications on COVID-19.
Korn, Daniel; Pervitsky, Vera; Bobrowski, Tesia; Alves, Vinicius M; Schmitt, Charles; Bizon, Chris; Baker, Nancy; Chirkova, Rada; Cherkasov, Artem; Muratov, Eugene; Tropsha, Alexander.
Afiliação
  • Korn D; Department of Computer Science, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
  • Pervitsky V; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
  • Bobrowski T; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
  • Alves VM; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
  • Schmitt C; Office of Data Science, National Toxicology Program, NIEHS, Morrisville, North Carolina 27560, United States.
  • Bizon C; Office of Data Science, National Toxicology Program, NIEHS, Morrisville, North Carolina 27560, United States.
  • Baker N; Renaissance Computing Institute, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
  • Chirkova R; ParlezChem, 123 W. Union Street, Hillsborough, North Carolina 27278, United States.
  • Cherkasov A; Department of Computer Science, North Carolina State University, Raleigh, North Carolina 27606-5550, United States.
  • Muratov E; Vancouver Prostate Centre, University of British Columbia, Vancouver, BC V6H 3Z6, Canada.
  • Tropsha A; Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599, United States.
J Chem Inf Model ; 61(12): 5734-5741, 2021 12 27.
Article em En | MEDLINE | ID: mdl-34783553
ABSTRACT
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.
Assuntos

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Preparações Farmacêuticas / COVID-19 Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Humans Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Preparações Farmacêuticas / COVID-19 Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Humans Idioma: En Ano de publicação: 2021 Tipo de documento: Article