Computational drug repurposing: approaches, evaluation of in silico resources and case studies

2025/03/18 by Ziaurrehman Tanoli, Adrià Fernández-Torras, Adrià Fernández‐Torras +50 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · #Bioinformatics and Genomic Networks #Biomedical Text Mining and Ontologies #Computational Drug Discovery Methods

paper · doi:10.1038/s41573-025-01164-x

crossref issued 2025/03/18 · crossref published 2025/03/18 · crossref published-online 2025/03/18 · openalex publication_date 2025/03/18 · crossref created 2025/03/18 · crossref published-print 2025/07/01 · openalex created_date 2025/10/10 · crossref deposited 2026/05/26 · openalex updated_date 2026/07/31 · crossref indexed 2026/07/31

Citations

• AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
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• Network-based drug repurposing for novel coronavirus 2019-nCoV/SARS-CoV-2
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• The Reactome Pathway Knowledgebase 2024
• A genomic mutational constraint map using variation in 76,156 human genomes
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Cited by

• AI-driven drug–target interaction prediction: current progress, challenges, and future roadmap for precision medicine

Discussions

• How to find new uses for existing drugs? Our massive review on computational drug repurposing is now online on Nature Reviews Drug Discovery. Team effort from the REMEDi4ALL consortium. doi.org/10.103 [bsky, 1 points, 1 comments]