ArticleScientific reports2016
Imbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors.
Article in Scientific reports, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- Drug Repurposing Uncovers New Chemical Scaffolds as Potent Urease Inhibitors: A Comprehensive Computational Study.International journal of molecular sciences · 2026Article
- Protein interaction explorer (PIE): a comprehensive platform for navigating protein-protein interactions and ligand binding pockets.Bioinformatics (Oxford, England) · 2024Article
- A comprehensive dataset of protein-protein interactions and ligand binding pockets for advancing drug discovery.Scientific data · 2024Article
- Chemoinformatics Analyses of Tau Ligands Reveal Key Molecular Requirements for the Identification of Potential Drug Candidates against Tauopathies.Molecules (Basel, Switzerland) · 2021Article
- Exploring the chemical space of protein-protein interaction inhibitors through machine learning.Scientific reports · 2021Article
- Target-templatedChemical science · 2021Article
- Exploring new targets and chemical space with affinity selection-mass spectrometry.Nature reviews. Chemistry · 2021Review
- Fr-PPIChem: An Academic Compound Library Dedicated to Protein-Protein Interactions.ACS chemical biology · 2020Article
- Rho GTPases in Intellectual Disability: From Genetics to Therapeutic Opportunities.International journal of molecular sciences · 2018Review
- IChem: A Versatile Toolkit for Detecting, Comparing, and Predicting Protein-Ligand Interactions.ChemMedChem · 2018Article
- Development of Protein-Protein Interaction Inhibitors for the Treatment of Infectious Diseases.Advances in protein chemistry and structural biology · 2018Review
- NuBBEScientific reports · 2017Article
- Article
- Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors.Scientific reports · 2017Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Protein-protein interactions (PPIs) play vital roles in life and provide new opportunities for therapeutic interventions. In this large data analysis, 3,300 inhibitors of PPIs (iPPIs) were compared to 17 reference datasets of collectively ~566,000 compounds (including natural compounds, existing drugs, active compounds on conventional targets, etc.) using a chemoinformatics approach. Using this procedure, we showed that comparable classes of PPI targets can be formed using either the similarity of their ligands or the shared properties of their binding cavities, constituting a proof-of-concept that not only can binding pockets be used to group PPI targets, but that these pockets certainly condition the properties of their corresponding ligands. These results demonstrate that matching regions in both chemical space and target space can be found. Such identified classes of targets could lead to the design of PPI-class-specific chemical libraries and therefore facilitate the development of iPPIs to the stage of drug candidates.
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Registered trials
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