Network analytics for drug repurposing in COVID-19

Author:

Siminea Nicoleta1ORCID,Popescu Victor2ORCID,Sanchez Martin Jose Angel3ORCID,Florea Daniela4ORCID,Gavril Georgiana4ORCID,Gheorghe Ana-Maria4ORCID,Iţcuş Corina5ORCID,Kanhaiya Krishna2ORCID,Pacioglu Octavian4ORCID,Popa Laura lona6ORCID,Trandafir Romica7ORCID,Tusa Maria Iris8ORCID,Sidoroff Manuela8ORCID,Păun Mihaela9ORCID,Czeizler Eugen4ORCID,Păun Andrei10ORCID,Petre Ion11ORCID

Affiliation:

1. Faculty of Mathematics and Computer Science, ICUB, University of Bucharest, Romania and Department of Bioinformatics, National Institute of Research and Development for Biological Sciences, Romania

2. Department of Information Technologies, Åbo Akademi University, Turku, Finland

3. Departamento de Sistemas Informáticos, Universidad Politécnica de Madrid, Spain

4. Department of Bioinformatics, National Institute of Research and Development for Biological Sciences, Romania

5. Department of Arctic and Antarctic Research, National Institute of Research and Development for Biological Sciences, Romania and Romanian Young Academy, University of Bucharest, Romania

6. Department of Microbiology and Immunology, Faculty of Biology, University of Bucharest, Bucharest, Romania and Department of Bioinformatics, National Institute of Research and Development for Biological Sciences, Bucharest, Romania

7. Department of Bioinformatics, National Institute of Research and Development for Biological Sciences, Bucharest, Romania, and Department of Mathematics and Computer Science, Technical University of Civil Engineering Bucharest, Romania

8. Department of Arctic and Antarctic Research, National Institute of Research and Development for Biological Sciences, Romania

9. Department of Bioinformatics, National Institute of Research and Development for Biological Sciences, Romania, and Faculty of Administration and Business, Research Institute of the University of Bucharest–ICUB, University of Bucharest, Romania

10. Faculty of Mathematics and Computer Science, ICUB, University of Bucharest, Romania, and Department of Bioinformatics, National Institute of Research and Development for Biological Sciences, Romania

11. Department of Mathematics and Statistics, University of Turku, 20014 Turku, Finland and National Institute of Research and Development for Biological Sciences, 296 Independenţei Bd. District 6, 060031 Bucharest, Romania

Abstract

Abstract To better understand the potential of drug repurposing in COVID-19, we analyzed control strategies over essential host factors for SARS-CoV-2 infection. We constructed comprehensive directed protein–protein interaction (PPI) networks integrating the top-ranked host factors, the drug target proteins and directed PPI data. We analyzed the networks to identify drug targets and combinations thereof that offer efficient control over the host factors. We validated our findings against clinical studies data and bioinformatics studies. Our method offers a new insight into the molecular details of the disease and into potentially new therapy targets for it. Our approach for drug repurposing is significant beyond COVID-19 and may be applied also to other diseases.

Funder

Ministry of Education

Publisher

Oxford University Press (OUP)

Subject

Molecular Biology,Information Systems

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