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Can I read Fr-PPIChem: An Academic Compound Library Dedicated to Protein–Protein Interactions on EtoBox?
Fr-PPIChem: An Academic Compound Library Dedicated to Protein–Protein Interactions by Nicolas Bosc; Christophe Muller; Laurent Hoffer; David Lagorce; Stéphane Bourg; Carine Derviaux; Marie-Edith Gourdel; Jean-Christophe Rain; Thomas W. Miller; Bruno O. Villoutreix; Maria A. Miteva; Pascal Bonnet; Xavier Morelli; Olivier Sperandio; Philippe Roche is a Biochemistry, Genetics and Molecular Biology article available to read on EtoBox.
What is Fr-PPIChem: An Academic Compound Library Dedicated to Protein–Protein Interactions about?
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. Th
Who reads Fr-PPIChem: An Academic Compound Library Dedicated to Protein–Protein Interactions?
It is typically read by researchers, students, and practitioners in Biochemistry, Genetics and Molecular Biology.
- Author
- Nicolas Bosc; Christophe Muller; Laurent Hoffer; David Lagorce; Stéphane Bourg; Carine Derviaux; Marie-Edith Gourdel; Jean-Christophe Rain; Thomas W. Miller; Bruno O. Villoutreix; Maria A. Miteva; Pascal Bonnet; Xavier Morelli; Olivier Sperandio; Philippe Roche
- Publisher
- American Chemical Society; American Chemical Society (ACS) (ISSN 1554-8929)
- Published
- 2020
- Language
- EN
- Field
- Biochemistry, Genetics and Molecular Biology (Life Sciences)