Xavier Barril

Barcelona, CT 08010, Spain

Last Updated: 09/26/2026

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Found 58 publications

Development of Small-Molecule Allosteric Modulators of Beta-Galactosidase (β-Gal) for the Treatment of GM1 Gangliosidosis and Morquio B.

Development of Small-Molecule Allosteric Modulators of Beta-Galactosidase (β-Gal) for the Treatment of GM1 Gangliosidosis and Morquio B.

Journal: International journal of molecular sciences

Published: January 30, 2026

Water Networks as Hydrophobic Recognition Motifs in Proteins.

Water Networks as Hydrophobic Recognition Motifs in Proteins.

Journal: Angewandte Chemie (International ed. in English)

Published: September 25, 2025

The Quasi-Bound State as a Predictor of Relative Binding Free Energy.

The Quasi-Bound State as a Predictor of Relative Binding Free Energy.

Journal: Journal of chemical information and modeling

Published: May 20, 2025

Discovering Uncharted Binding Pockets on E3 Ligases Leads to the Identification of FBW7 Allosteric Modulators.

Discovering Uncharted Binding Pockets on E3 Ligases Leads to the Identification of FBW7 Allosteric Modulators.

Journal: Advanced science (Weinheim, Baden-Wurttemberg, Germany)

Published: April 04, 2025

A bottom-up approach to find lead compounds in expansive chemical spaces.

A bottom-up approach to find lead compounds in expansive chemical spaces.

Journal: Communications chemistry

Published: January 28, 2025

Integrated computational and biosensor-based strategies for the discovery of allosteric SMYD3 ligands using diperodon as a starting point.

Integrated computational and biosensor-based strategies for the discovery of allosteric SMYD3 ligands using diperodon as a starting point.

Journal: Bioorganic & medicinal chemistry

Published: November 25, 2024

Syntheses of differentially fluorinated triazole-based 1-deoxysphingosine analogues en route to SphK inhibitors.

Syntheses of differentially fluorinated triazole-based 1-deoxysphingosine analogues en route to SphK inhibitors.

Journal: Organic & biomolecular chemistry

Published: November 20, 2024

Use of the Novel Site-Directed Enzyme Enhancement Therapy (SEE-Tx) Drug Discovery Platform to Identify Pharmacological Chaperones for Glutaric Acidemia Type 1.

Use of the Novel Site-Directed Enzyme Enhancement Therapy (SEE-Tx) Drug Discovery Platform to Identify Pharmacological Chaperones for Glutaric Acidemia Type 1.

Journal: Journal of medicinal chemistry

Published: September 23, 2024

The Role of Water Networks in Phosphodiesterase Inhibitor Dissociation and Kinetic Selectivity.

The Role of Water Networks in Phosphodiesterase Inhibitor Dissociation and Kinetic Selectivity.

Journal: ChemMedChem

Published: May 30, 2024

Comprehensive detection and characterization of human druggable pockets through binding site descriptors.

Comprehensive detection and characterization of human druggable pockets through binding site descriptors.

Journal: Nature communications

Published: March 04, 2024

Discovery of allosteric regulators with clinical potential to stabilize alpha-L-iduronidase in mucopolysaccharidosis type I.

Discovery of allosteric regulators with clinical potential to stabilize alpha-L-iduronidase in mucopolysaccharidosis type I.

Journal: PloS one

Published: November 23, 2023

Targeting dihydroceramide desaturase 1 (Des1): Syntheses of ceramide analogues with a rigid scaffold, inhibitory assays, and AlphaFold2-assisted structural insights reveal cyclopropenone PR280 as a potent inhibitor.

Targeting dihydroceramide desaturase 1 (Des1): Syntheses of ceramide analogues with a rigid scaffold, inhibitory assays, and AlphaFold2-assisted structural insights reveal cyclopropenone PR280 as a potent inhibitor.

Journal: Bioorganic chemistry

Published: October 09, 2023

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Last Updated: 09/26/2026