ArticleMethods in molecular biology (Clifton, N.J.)2017
Local Alignment of Ligand Binding Sites in Proteins for Polypharmacology and Drug Repositioning.
Article in Methods in molecular biology (Clifton, N.J.), 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
What it found
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Who cites it
14 citing papers in PubMed.
- Repurposing of natural products for spinocerebellar ataxia type 3 using integrated network pharmacology and in silico approaches.Scientific reports · 2026Article
- SARST2 high-throughput and resource-efficient protein structure alignment against massive databases.Nature communications · 2025Article
- Unraveling viral drug targets: a deep learning-based approach for the identification of potential binding sites.Briefings in bioinformatics · 2023Article
- In Silico Identification and Analysis of Potentially Bioactive Antiviral Phytochemicals against SARS-CoV-2: A Molecular Docking and Dynamics Simulation Approach.BioMed research international · 2023Article
- A multilayer dynamic perturbation analysis method for predicting ligand-protein interactions.BMC bioinformatics · 2022Article
- In Silico Screening of Quorum Sensing Inhibitor Candidates Obtained by Chemical Similarity Search.Molecules (Basel, Switzerland) · 2022Article
- GraphSite: Ligand Binding Site Classification with Deep Graph Learning.Biomolecules · 2022Article
- Pharmacophore-based virtual screening approaches to identify novel molecular candidates against EGFR through comprehensive computational approaches andFrontiers in pharmacology · 2022Article
- Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein.Scientific reports · 2021Article
- Binding site matching in rational drug design: algorithms and applications.Briefings in bioinformatics · 2019Review
- DeepDrug3D: Classification of ligand-binding pockets in proteins with a convolutional neural network.PLoS computational biology · 2019Article
- eModel-BDB: a database of comparative structure models of drug-target interactions from the Binding Database.GigaScience · 2018Article
- eRepo-ORP: Exploring the Opportunity Space to Combat Orphan Diseases with Existing Drugs.Journal of molecular biology · 2018Article
- Large-scale computational drug repositioning to find treatments for rare diseases.NPJ systems biology and applications · 2018Article
Corrections and comments
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Authors and funding
1 author.
Funding
Abstract
The administration of drugs is a key strategy in pharmacotherapy to treat diseases. Drugs are typically developed to modulate the function of specific proteins, which are directly associated with particular disease states. Nonetheless, recent studies suggest that protein-drug interactions are rather promiscuous and the majority of pharmaceuticals exhibit activity against multiple, often unrelated proteins. Certainly, the lack of selectivity often leads to drug side effects; on the other hand, these polypharmacological attributes can be used to develop drugs acting on multiple targets within a unique disease pathway, as well as to identify new targets for existing drugs, which is known as drug repositioning. To support drug development and repurposing, we developed eMatchSite, a new approach to detect those binding sites having the capability to bind similar compounds. eMatchSite is available as a standalone software and a webserver at http://www.brylinski.org/ematchsite .
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Registered trials
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