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Updated: Nov 4, 2025
05:10
Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
Published on: December 11, 2016
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A method for the rational selection of drug repurposing candidates from multimodal knowledge harmonization
Bruce Schultz1, Andrea Zaliani2,3, Christian Ebeling1
1Fraunhofer Institute for Algorithms and Scientific Computing SCAI, Department of Bioinformatics, Institutszentrum Birlinghoven, 53754, Sankt Augustin, Germany.
Scientific Reports
|May 27, 2021
Summary
The COVID-19 PHARMACOME integrates diverse data into a drug-target graph. This tool aids in identifying synergistic drug repurposing candidates for SARS-CoV-2 infection, validated by experimental results.
Area of Science:
- Virology
- Pharmacology
- Computational Biology
Background:
- The SARS-CoV-2 pandemic spurred extensive research, particularly in drug repurposing, leading to numerous publications.
- Discrepancies in therapeutic compound efficacy from SARS-CoV-2 assays highlight the need for a unified information source.
- A rational approach to selecting drug repurposing candidates is crucial for effective COVID-19 treatment.
Purpose of the Study:
- To develop a comprehensive drug-target-mechanism graph for SARS-CoV-2/COVID-19 pathophysiology.
- To create a singular, integrated resource for COVID-19 drug repurposing research.
- To identify novel synergistic drug combinations for treating SARS-CoV-2 infection.
Main Methods:
- Compiled data from 10 disease maps and experimental sources related to SARS-CoV-2.
- Generated a comprehensive drug-target-mechanism graph named COVID-19 PHARMACOME.
- Applied a systematic approach to predict synergistic drug effects.
Main Results:
- Successfully predicted synergistic effects of drug pairs, including Remdesivir and Thioguanosine, and Nelfinavir and Raloxifene.
- Experimental validation confirmed the predicted synergistic drug combinations.
- Demonstrated the graph's utility in exploring mechanistic pathways.
Conclusions:
- The COVID-19 PHARMACOME serves as a valuable resource for understanding COVID-19 mechanisms.
- The graph facilitates the identification of novel drug repurposing candidates and combinations.
- This approach aids in rational drug selection for potential COVID-19 therapies.
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