Drugst.One — a plug-and-play solution for online systems medicine and network-based drug repurposing

Author:

Maier Andreas1ORCID,Hartung Michael1ORCID,Abovsky Mark23,Adamowicz Klaudia1ORCID,Bader Gary D45678ORCID,Baier Sylvie9ORCID,Blumenthal David B10ORCID,Chen Jing11,Elkjaer Maria L1121314ORCID,Garcia-Hernandez Carlos15,Helmy Mohamed161718192021,Hoffmann Markus92223ORCID,Jurisica Igor232425ORCID,Kotlyar Max23ORCID,Lazareva Olga262728ORCID,Levi Hagai29ORCID,List Markus9ORCID,Lobentanzer Sebastian30ORCID,Loscalzo Joseph31ORCID,Malod-Dognin Noel15,Manz Quirin9ORCID,Matschinske Julian19ORCID,Mee Miles456,Oubounyt Mhaned1ORCID,Pastrello Chiara23ORCID,Pico Alexander R32ORCID,Pillich Rudolf T11ORCID,Poschenrieder Julian M19ORCID,Pratt Dexter11,Pržulj Nataša153334ORCID,Sadegh Sepideh193536ORCID,Saez-Rodriguez Julio30ORCID,Sarkar Suryadipto10ORCID,Shaked Gideon29ORCID,Shamir Ron29ORCID,Trummer Nico9ORCID,Turhan Ugur1,Wang Rui-Sheng31ORCID,Zolotareva Olga19ORCID,Baumbach Jan137ORCID

Affiliation:

1. Institute for Computational Systems Biology, University of Hamburg , Hamburg, Germany

2. Division of Orthopaedic Surgery, Schroeder Arthritis Institute , Toronto, Canada

3. Data Science Discovery Centre for Chronic Diseases, Krembil Research Institute , Toronto, ON M5T 0S8, Canada

4. Department of Molecular Genetics, University of Toronto , Toronto, ON, Canada

5. The Donnelly Centre, University of Toronto , Toronto, ON, Canada

6. Department of Computer Science, University of Toronto , Toronto, ON, Canada

7. Princess Margaret Cancer Centre, University Health Network , Toronto, ON, Canada

8. The Lunenfeld-Tanenbaum Research Institute, Mount Sinai Hospital , Toronto, ON, Canada

9. Data Science in Systems Biology, TUM School of Life Sciences, Technical University of Munich , Munich, Germany

10. Department Artificial Intelligence in Biomedical Engineering (AIBE), Friedrich-Alexander University Erlangen-Nürnberg (FAU) , 91052 Erlangen, Germany

11. Department of Medicine, University of California San Diego , 9500 Gilman Drive, La Jolla, CA 92093, USA

12. Department of Neurology, Odense University Hospital , Odense, Denmark

13. Institute of Clinical Research, University of Southern Denmark , Odense, Denmark

14. Institute of Molecular Medicine, University of Southern Denmark , Odense, Denmark

15. Barcelona Supercomputing Center (BSC) , 08034 Barcelona, Spain

16. Vaccine and Infectious Disease Organization (VIDO), University of Saskatchewan , Canada

17. School of Public Health, University of Saskatchewan , Canada

18. Department of Computer Science, University of Saskatchewan , Canada

19. Department of Computer Science, Lakehead University , Canada

20. Department of Computer Science, Idaho State University , USA

21. Bioinformatics Institute (BII) , A*STAR, Singapore

22. Institute for Advanced Study, Technical University of Munich , Germany

23. National Institute of Diabetes, Digestive, and Kidney Diseases, Bethesda , MD 20892, USA

24. Departments of Medical Biophysics and Computer Science, University of Toronto , Toronto, Canada

25. Institute of Neuroimmunology, Slovak Academy of Sciences , Bratislava, Slovakia

26. Division of Computational Genomics and Systems Genetics, German Cancer Research Center (DKFZ) , 69120 Heidelberg, Germany

27. Junior Clinical Cooperation Unit Multiparametric methods for early detection of prostate cancer, German Cancer Research Center (DKFZ) , Heidelberg, Germany

28. European Molecular Biology Laboratory, Genome Biology Unit , 69117 Heidelberg, Germany

29. Blavatnik School of Computer Science, Tel-Aviv University , Tel-Aviv, Israel

30. Heidelberg University, Faculty of Medicine, and Heidelberg University Hospital, Institute for Computational Biomedicine , Bioquant, Heidelberg, Germany

31. Department of Medicine, Brigham and Women’s Hospital, Harvard Medical School , Boston, MA 02115, USA

32. Institute of Data Science and Biotechnology, Gladstone Institutes , 1650 Owens Street, San Francisco, 94158 California, USA

33. Department of Computer Science, University College London , London WC1E 6BT, UK

34. ICREA , Pg. Lluís Companys 23, 08010 Barcelona, Spain

35. Department of Clinical Genetics, Odense University Hospital , Odense, Denmark

36. Clinical Genome Center, Department of Clinical Research, University of Southern Denmark , Odense, Denmark

37. Computational Biomedicine Lab, Department of Mathematics and Computer Science, University of Southern Denmark , Odense, Denmark

Abstract

Abstract In recent decades, the development of new drugs has become increasingly expensive and inefficient, and the molecular mechanisms of most pharmaceuticals remain poorly understood. In response, computational systems and network medicine tools have emerged to identify potential drug repurposing candidates. However, these tools often require complex installation and lack intuitive visual network mining capabilities. To tackle these challenges, we introduce Drugst.One, a platform that assists specialized computational medicine tools in becoming user-friendly, web-based utilities for drug repurposing. With just three lines of code, Drugst.One turns any systems biology software into an interactive web tool for modeling and analyzing complex protein-drug-disease networks. Demonstrating its broad adaptability, Drugst.One has been successfully integrated with 21 computational systems medicine tools. Available at https://drugst.one, Drugst.One has significant potential for streamlining the drug discovery process, allowing researchers to focus on essential aspects of pharmaceutical treatment research.

Funder

Horizon 2020

European Union

Swiss State Secretariat for Education, Research and Innovation

German Federal Ministry of Education and Research

German Excellence Initiative

National Institute of Diabetes and Digestive and Kidney Diseases

Deutsche Forschungsgemeinschaft

VILLUM Young Investigator

European Research Council

Spanish State Research Agency

Natural Sciences Research Council

Canada Foundation for Innovation

Ontario Research Fund

IBM and Ian Lawson van Toch Fund

European Union’s Horizon 2020

Horizon Europe project Repo4EU

Publisher

Oxford University Press (OUP)

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