ArticleNucleic acids research2019
Drug ReposER: a web server for predicting similar amino acid arrangements to known drug binding interfaces for potential drug repositioning.
Article in Nucleic acids research, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- ComTarget: Small-Molecule Target Prediction with Combinatorial Modeling.Pharmaceuticals (Basel, Switzerland) · 2026Article
- In Silico Drug Repurposing Endorse Amprenavir, Darunavir and Saquinavir to Target Enzymes of Multidrug Resistant UropathogenicIndian journal of microbiology · 2024Article
- Potentials and future perspectives of multi-target drugs in cancer treatment: the next generation anti-cancer agents.Cell communication and signaling : CCS · 2024Review
- VirtuousPocketome: a computational tool for screening protein-ligand complexes to identify similar binding sites.Scientific reports · 2024Article
- KUALA: a machine learning-driven framework for kinase inhibitors repositioning.Scientific reports · 2022Article
- Montelukast is a dual-purpose inhibitor of SARS-CoV-2 infection and virus-induced IL-6 expression identified by structure-based drug repurposing.Computational and structural biotechnology journal · 2022Article
- Recent Advances in In Silico Target Fishing.Molecules (Basel, Switzerland) · 2021Review
- Predicted antiviral drugs Darunavir, Amprenavir, Rimantadine and Saquinavir can potentially bind to neutralize SARS-CoV-2 conserved proteins.Journal of biological research (Thessalonike, Greece) · 2021Article
- LigAdvisor: a versatile and user-friendly web-platform for drug design.Nucleic acids research · 2021Article
- NOD: a web server to predict New use of Old Drugs to facilitate drug repurposing.Scientific reports · 2021Article
- Repurposing potential of posaconazole and grazoprevir as inhibitors of SARS-CoV-2 helicase.Scientific reports · 2021Article
- PROMISCUOUS 2.0: a resource for drug-repositioning.Nucleic acids research · 2021Article
- PaccMann: a web service for interpretable anticancer compound sensitivity prediction.Nucleic acids research · 2020Article
- Side chain similarity comparisons for integrated drug repositioning and potential toxicity assessments in epidemic response scenarios: The case for COVID-19.Computational and structural biotechnology journal · 2020Article
- The assessment of efficient representation of drug features using deep learning for drug repositioning.BMC bioinformatics · 2019Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A common drug repositioning strategy is the re-application of an existing drug to address alternative targets. A crucial aspect to enable such repurposing is that the drug's binding site on the original target is similar to that on the alternative target. Based on the assumption that proteins with similar binding sites may bind to similar drugs, the 3D substructure similarity data can be used to identify similar sites in other proteins that are not known targets. The Drug ReposER (DRug REPOSitioning Exploration Resource) web server is designed to identify potential targets for drug repurposing based on sub-structural similarity to the binding interfaces of known drug binding sites. The application has pre-computed amino acid arrangements from protein structures in the Protein Data Bank that are similar to the 3D arrangements of known drug binding sites thus allowing users to explore them as alternative targets. Users can annotate new structures for sites that are similarly arranged to the residues found in known drug binding interfaces. The search results are presented as mappings of matched sidechain superpositions. The results of the searches can be visualized using an integrated NGL viewer. The Drug ReposER server has no access restrictions and is available at http://mfrlab.org/drugreposer/.
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Registered trials
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