ArticleScientific reports2022
DrugRepo: a novel approach to repurposing drugs based on chemical and genomic features.
Article in Scientific reports, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed.
- Medicinal Chemistry Perspectives on Drug Repurposing: Innovative Approaches and Therapeutic Breakthrough.Therapeutic innovation & regulatory science · 2026Review
- Artificial intelligence in drug research and development: a review of methods and applications in drug repurposing.Briefings in bioinformatics · 2026Review
- AI-driven drug-target interaction prediction: current progress, challenges, and future roadmap for precision medicine.Journal of computer-aided molecular design · 2026Review
- Unlocking the potential of computational phenotypic drug discovery: methods, challenges, and future directions.NPJ systems biology and applications · 2026Review
- Therapeutic Switching of Metformin Using Heteroleptic Cu(II) and Zn(II) Complexes: A Combined Experimental and Computational Study.ACS omega · 2026Article
- Design and evaluation of semantically-valid negative samples integration techniques for scalable semi-automated drug repurposing prediction pipelines in rare disease research.BMC bioinformatics · 2026Article
- Drug Repurposing for Metabolic-Associated Fatty Liver Disease: Current Evidence, Challenges, and Future Perspectives.Drug design, development and therapy · 2026Review
- Bridging the computational-experimental gap: leveraging large language model to prioritize Alzheimer's therapeutics based on comparison of learning models.npj health systems · 2026Article
- DeepTargetClass: a web-based platform for predicting protein target classes of small molecules.Journal of computer-aided molecular design · 2025Article
- NetMedPy: a Python package for large-scale network medicine screening.Bioinformatics (Oxford, England) · 2025Article
- Variations in Plasma Levels of Orally Administered Ivermectin Could Hamper Its Potential Drug Repositioning: Results of a Bioequivalence Study in Mexican Population.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Computational drug repurposing: approaches, evaluation of in silico resources and case studies.Nature reviews. Drug discovery · 2025Review
- Artificial intelligence in drug resistance management.3 Biotech · 2025Review
- Applications of Artificial Intelligence in Drug Repurposing.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Review
- Mechanisms to medicines: navigating drug repurposing strategies in Alzheimer's disease.Frontiers in aging neuroscience · 2025Review
- Antibiotics: From Mechanism of Action to Resistance and Beyond.Indian journal of microbiology · 2024Review
- In Silico Drug Repurposing Endorse Amprenavir, Darunavir and Saquinavir to Target Enzymes of Multidrug Resistant UropathogenicIndian journal of microbiology · 2024Article
- Drug Repurposing: Exploring Potential Anti-Cancer Strategies by Targeting Cancer Signalling Pathways.Biology · 2024Review
- RepurposeDrugs: an interactive web-portal and predictive platform for repurposing mono- and combination therapies.Briefings in bioinformatics · 2024Article
- Integrating Artificial Intelligence for Drug Discovery in the Context of Revolutionizing Drug Delivery.Life (Basel, Switzerland) · 2024Review
Corrections and comments
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Authors and funding
7 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The drug development process consumes 9-12 years and approximately one billion US dollars in costs. Due to the high finances and time costs required by the traditional drug discovery paradigm, repurposing old drugs to treat cancer and rare diseases is becoming popular. Computational approaches are mainly data-driven and involve a systematic analysis of different data types leading to the formulation of repurposing hypotheses. This study presents a novel scoring algorithm based on chemical and genomic data to repurpose drugs for 669 diseases from 22 groups, including various cancers, musculoskeletal, infections, cardiovascular, and skin diseases. The data types used to design the scoring algorithm are chemical structures, drug-target interactions (DTI), pathways, and disease-gene associations. The repurposed scoring algorithm is strengthened by integrating the most comprehensive manually curated datasets for each data type. At DrugRepo score ≥ 0.4, we repurposed 516 approved drugs across 545 diseases. Moreover, hundreds of novel predicted compounds can be matched with ongoing studies at clinical trials. Our analysis is supported by a web tool available at: http://drugrepo.org/ .
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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.