1. A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research
- Author
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Lars Juhl Jensen, Dimitrios Metaxatos, Biju Mathew, Gergely Zahoranszky-Kohalmi, Tim Mierzwa, Samuel G. Michael, Ewy Mathé, Alexander G. Godfrey, Praveen Kumar, Reid Simon, Tudor I. Oprea, Matthew D. Hall, Busola Grillo, Mark Backus, Laura Brovold, Ivan Grishagin, Manideep Gurumurthy, Jordi Mestres, and Vishal B. Siramshetty
- Subjects
Computer science ,General Chemical Engineering ,graph database ,Library and Information Sciences ,Asset (computer security) ,computer.software_genre ,Article ,Workflow ,Humans ,network pharmacology ,Protocol (object-oriented programming) ,Pandemics ,data integration ,Graph database ,Event (computing) ,SARS-CoV-2 ,Drug Repositioning ,COVID-19 ,Construct (python library) ,General Chemistry ,Data science ,Neo4j ,Computer Science Applications ,Drug repositioning ,User interface ,computer - Abstract
MotivationIn the event of an outbreak due to an emerging pathogen, time is of the essence to contain or to mitigate the spread of the disease. Drug repositioning is one of the strategies that has the potential to deliver therapeutics relatively quickly. The SARS-CoV-2 pandemic has shown that integrating critical data resources to drive drug-repositioning studies, involving host-host, hostpathogen and drug-target interactions, remains a time-consuming effort that translates to a delay in the development and delivery of a life-saving therapy.ResultsHere, we describe a workflow we designed for a semi-automated integration of rapidly emerging datasets that can be generally adopted in a broad network pharmacology research setting. The workflow was used to construct a COVID-19 focused multimodal network that integrates 487 host-pathogen, 74,805 host-host protein and 1,265 drug-target interactions. The resultant Neo4j graph database named “Neo4COVID19” is accessible via a web interface and via API calls based on the Bolt protocol. We believe that our Neo4COVID19 database will be a valuable asset to the research community and will catalyze the discovery of therapeutics to fight COVID-19.Availabilityhttps://neo4covid19.ncats.io
- Published
- 2022