ArticleACS chemical biology2020
Fr-PPIChem: An Academic Compound Library Dedicated to Protein-Protein Interactions.
Article in ACS chemical biology, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed.
- Targeting Nipah virus replication: A fluorescence polarization assay for high-throughput modulators screening against the NThe Journal of biological chemistry · 2026Article
- In Silico Druggability Assessment ofAntibiotics (Basel, Switzerland) · 2026Article
- HTRF-based identification of small molecules targeting SARS-CoV-2 E protein interaction with ZO-1 PDZ2.Scientific reports · 2025Article
- Engineering SIRPα conformational plasticity to reveal a cryptic pocket suitable for structure-based drug design.bioRxiv : the preprint server for biology · 2025Article
- A journey into the regulatory secrets of theFrontiers in pharmacology · 2024Review
- A perspective on the sharing of docking data.Data in brief · 2023Article
- Generating Potential Protein-Protein Interaction Inhibitor Molecules Based on Physicochemical Properties.Molecules (Basel, Switzerland) · 2023Article
- Article
- A Hybrid Docking and Machine Learning Approach to Enhance the Performance of Virtual Screening Carried out on Protein-Protein Interfaces.International journal of molecular sciences · 2022Article
- Machine Learning Models to Predict Protein-Protein Interaction Inhibitors.Molecules (Basel, Switzerland) · 2022Article
- A highly sensitive cell-based luciferase assay for high-throughput automated screening of SARS-CoV-2 nsp5/3CLpro inhibitors.Antiviral research · 2022Article
- Artificial Intelligence, Machine Learning, and Deep Learning in Real-Life Drug Design Cases.Methods in molecular biology (Clifton, N.J.) · 2022Review
- DLiP-PPI library: An integrated chemical database of small-to-medium-sized molecules targeting protein-protein interactions.Frontiers in chemistry · 2022Article
- Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9.PLoS computational biology · 2022Article
- A highly sensitive cell-based luciferase assay for high-throughput automated screening of SARS-CoV-2 nsp5/3CLpro inhibitors.bioRxiv : the preprint server for biology · 2021Article
- Development of a chemogenomics library for phenotypic screening.Journal of cheminformatics · 2021Article
- Analysis of physicochemical properties of protein-protein interaction modulators suggests stronger alignment with the "rule of five".RSC medicinal chemistry · 2021Article
- The Use of Informer Sets in Screening: Perspectives on an Efficient Strategy to Identify New Probes.SLAS discovery : advancing life sciences R & D · 2021Article
- Bioengineering ofToxins · 2021Review
- Resources and computational strategies to advance small molecule SARS-CoV-2 discovery: Lessons from the pandemic and preparing for future health crises.Computational and structural biotechnology journal · 2021Review
Corrections and comments
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Authors and funding
15 authors.
Funding
Abstract
Protein-protein interactions (PPIs) mediate nearly every cellular process and represent attractive targets for modulating disease states but are challenging to target with small molecules. Despite this, several PPI inhibitors (iPPIs) have entered clinical trials, and a growing number of PPIs have become validated drug targets. However, high-throughput screening efforts still endure low hit rates mainly because of the use of unsuitable screening libraries. Here, we describe the collective effort of a French consortium to build, select, and store in plates a unique chemical library dedicated to the inhibition of PPIs. Using two independent predictive models and two updated databases of experimentally confirmed PPI inhibitors developed by members of the consortium, we built models based on different training sets, molecular descriptors, and machine learning methods. Independent statistical models were used to select putative PPI inhibitors from large commercial compound collections showing great complementarity. Medicinal chemistry filters were applied to remove undesirable structures from this set (such as PAINS, frequent hitters, and toxic compounds) and to improve drug likeness. The remaining compounds were subjected to a clustering procedure to reduce the final size of the library while maintaining its chemical diversity. In practice, the library showed a 46-fold activity rate enhancement when compared to a non-iPPI-enriched diversity library in high-throughput screening against the CD47-SIRPα PPI. The Fr-PPIChem library is plated in 384-well plates and will be distributed on demand to the scientific community as a powerful tool for discovering new chemical probes and early hits for the development of potential therapeutic drugs.
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Registered trials
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