ArticleFrontiers in bioinformatics2025
Drug repositioning pipeline integrating community analysis in drug-drug similarity networks and automated ATC community labeling to foster molecular docking analysis.
Article in Frontiers in bioinformatics, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Multi-omics-driven precision medicine.iMeta · 2026Review
- The Complexity of Drug Development: Translational Value and Limitations of Computational ADMET Assays Applied to Approved Anticancer Drugs.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Therapeutic rewiring of ceRNA networks: a computational pipeline for drug repurposing in acute kidney injury via circRNA-miRNA-mRNA axis disruption.Human genomics · 2026Review
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Authors and funding
6 authors.
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Abstract
Introduction: Drug repositioning-finding new therapeutic uses for existing drugs-can dramatically reduce development time and cost, but requires efficient computational frameworks to generate and validate repositioning hypotheses. Network-based methods can uncover drug communities with shared pharmacological properties, while molecular docking offers mechanistic insights by predicting drug-target binding. Methods: We introduce an end-to-end, fully automated pipeline that (1) constructs a tripartite drug-gene-disease network from DrugBank and DisGeNET, (2) projects it into a drug-drug similarity network for community detection, (3) labels communities Results: After filtering for connectivity and size, 12 robust communities emerged from the initial 34 clusters. The pipeline correctly matched 53.4% of drugs to their ATC level 1 community label Conclusion: Our integrated pipeline effectively integrates network-based community analysis and automated ATC labeling with literature and docking analysis, narrowing the search space for
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