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A landscape for drug-target interactions based on network analysis.
Edgardo Galan-Vasquez1, Ernesto Perez-Rueda2
1Departamento de Ingeniería de Sistemas Computacionales y Automatización, Instituto de Investigación en Matemáticas Aplicadas y en Sistemas, Universidad Nacional Autónoma de México, Ciudad Universitaria, México City, México.
Plos One
|March 17, 2021
Summary
This study analyzed drug-target interactions, revealing a complex network with a large central component. Key nodes like the histamine H1 receptor and drug fostamatinib were identified, offering insights for drug repositioning and disease treatment.
Area of Science:
- Pharmacology and Bioinformatics
- Network Analysis
- Drug Discovery
Background:
- Understanding the intricate network of drug-target interactions is crucial for drug discovery and repositioning.
- The DrugBank database provides a comprehensive resource for studying these interactions.
Purpose of the Study:
- To analyze the connectivity and topological properties of the drug-target interaction network for FDA-approved drugs.
- To identify key nodes (drugs and targets) and community structures within the network.
- To explore the potential for drug repositioning and combating emergent diseases.
Main Methods:
- Downloaded drug-target interaction data from the DrugBank database.
- Performed topological analysis, including degree, clustering coefficient, connected components, and centrality.
- Utilized network analysis techniques to identify hubs and communities.
Main Results:
- The drug-target interaction network is not bipartite and consists of 165 connected components, with a giant component comprising 89.99% of interactions.
- Histamine H1 receptor was identified as the most important node for input-degree centrality.
- Fostamatinib showed the highest output-degree centrality, interacting with 300 targets, and is relevant for immune thrombocytopenia.
- 187 communities were identified, with large ones linked to metabolic diseases, psychiatric disorders, and cancer.
Conclusions:
- The complex structure of the drug-target network offers opportunities for drug repositioning.
- Identifying key nodes and network communities can aid in developing strategies against emergent diseases.
- This network analysis provides valuable insights for pharmaceutical research and development.