ReviewNature reviews. Drug discovery2025
Computational drug repurposing: approaches, evaluation of in silico resources and case studies.
Review in Nature reviews. Drug discovery, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 51 papers.
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The trial behind it
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Who cites it
51 citing papers in PubMed.
- Artificial Intelligence-Guided Phenotypic Drug Repurposing Against Streptococcus pneumoniae.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Stable simulations do not guarantee functional engagement: a case study of off-target prediction for Seladelpar and Zanamivir.Journal of computer-aided molecular design · 2026Article
- AI-enabled engineering of hesperidin/ursodeoxycholic acid nanomedicine for synergistic treatment of drug-induced liver injury.Smart molecules : open access · 2026Article
- Bridging boundaries: making drug repurposing the new normal.Nature reviews. Drug discovery · 2026Article
- DLRNA-BERTa: a transformer approach for predicting molecule-RNA binding affinities.Briefings in bioinformatics · 2026Article
- Machine learning-driven drug repurposing and computational validation for Nipah virus.Molecular diversity · 2026Article
- Drug target prediction from perturbation transcriptomics via a biological function-guided hypergraph siamese network.Bioinformatics (Oxford, England) · 2026Article
- Repurposing approved drugs as potential inhibitors of Mycobacterium tuberculosis ClpP: Structure-based virtual screening, molecular dynamics, and in vitro evaluation.Molecular diversity · 2026Article
- Using Deep Learning Models of Gene Regulation to Guide Drug Prioritization.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Medicinal Chemistry Perspectives on Drug Repurposing: Innovative Approaches and Therapeutic Breakthrough.Therapeutic innovation & regulatory science · 2026Review
- A Narrative Review of Artificial Intelligence for Drug Repurposing: Lessons From COVID-19 and Oncology (2020-2025).CPT: pharmacometrics & systems pharmacology · 2026Review
- Pharmacogenomic Stratification for Oncology Drug Repurposing: An Exposure Target Context Eligibility Framework.Pharmaceuticals (Basel, Switzerland) · 2026Review
- Advances in high-throughput drug screening based on pharmacotranscriptomics.Journal of advanced research · 2026Review
- Early, sex-dependent and progressive proteomic imbalance in the amygdala during Alzheimer´s disease continuum.Biology of sex differences · 2026Article
- An aerosolized dual-action autotaxin inhibitor-PPARγ agonist for the treatment of pulmonary fibrosis.Cell reports. Medicine · 2026Article
- A phenotype-to-mechanism framework links phenome-wide comorbidity architecture to molecular mechanisms and therapeutic discovery in complex diseases.medRxiv : the preprint server for health sciences · 2026Article
- Drug repurposing for glucosyltransferase inhibition for targeted oral biofilm disruption.NPJ biofilms and microbiomes · 2026Article
- Using Deep Learning Models of Gene Regulation to Guide Drug Prioritization.bioRxiv : the preprint server for biology · 2026Article
- An Integrative Computational Pipeline for CK2 Inhibitor Discovery in Triple-Negative Breast Cancer Using Virtual Screening, Molecular Dynamics, Machine Learning, and Density Functional Theory.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Structure-Guided Repurposing of Approved Drugs Identifies Aprepitant and Mavorixafor as Putative δ-Opioid Receptor Agonist Candidates.International journal of molecular sciences · 2026Article
Corrections and comments
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Authors and funding
43 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Repurposing of existing drugs for new indications has attracted substantial attention owing to its potential to accelerate drug development and reduce costs. Hundreds of computational resources such as databases and predictive platforms have been developed that can be applied for drug repurposing, making it challenging to select the right resource for a specific drug repurposing project. With the aim of helping to address this challenge, here we overview computational approaches to drug repurposing based on a comprehensive survey of available in silico resources using a purpose-built drug repurposing ontology that classifies the resources into hierarchical categories and provides application-specific information. We also present an expert evaluation of selected resources and three drug repurposing case studies implemented within the Horizon Europe REMEDi4ALL project to demonstrate the practical use of the resources. This comprehensive Review with expert evaluations and case studies provides guidelines and recommendations on the best use of various in silico resources for drug repurposing and establishes a basis for a sustainable and extendable drug repurposing web catalogue.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.