Giuseppe Deganutti

PCO371 intracellular agonism at the parathyroid hormone 1 receptor produces pan-activation of signalling partners

This study compares the functional and structural properties of the intracellular agonist PCO371 with the extracellular peptide agonist PTH 1-34 at the PTH1R, revealing PCO371's non-biased signaling profile and lower potency.

Direct Small Molecule Modulation of LILRB4 (ILT3) Restores Anti-Tumor Immunity In Vivo and in Patient-Derived Cells

This study identifies GL-4512, a small molecule modulator of LILRB4, which restores anti-tumor immunity in vivo and in patient-derived cells by disrupting immunosuppressive signaling.

Deacylation of SNAP25 protein family isoforms reveals distinct substrate selectivities of α/β hydrolase domain (ABHD) deacylases

The paper identifies ABHD13 and ABHD16A as deacylases regulating SNAP25 family proteins and maps substrate selectivity to a single amino acid position.

AI-derived Protein Structures Validation: AlphaFold2 Models in the Twilight Zone

The paper validates AlphaFold2-generated protein structures by aligning them with structurally similar proteins, showing success for challenging cases like ABHD16A.

In vivo functional profiling and structural characterisation of the human Glp1r A316T variant

This study investigates the human Glp1r A316T variant's effects on glucose metabolism and GLP-1RA responses using mouse models and structural analyses.

Design of peptide-based PAC1 antagonists combining molecular dynamics simulations and a biologically relevant cell-based assay

The paper designs peptide-based PAC1 antagonists using molecular dynamics simulations and a cell-based assay, finding that some proposed small molecule antagonists lack activity while confirming the efficacy of PACAP(6-38) and M65.

Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)

This paper introduces mwSuMD, a molecular dynamics algorithm, to simulate complex structural transitions in GPCRs without energy bias, demonstrating its application in studying receptor activation and GDP release.

Prolonged signaling of backbone-modified glucagon-like peptide-1 analogues with diverse receptor trafficking

This study identifies GLP-1 analogues with prolonged signaling by modifying specific amino acids, showing how receptor trafficking and peptide structure affect signaling duration.

Is The Stalk of the SARS-CoV-2 Spike Protein Druggable?

This study computationally evaluates the druggability of the SARS-CoV-2 spike protein stalk using molecular docking and dynamics simulations, finding it challenging due to structural flexibility.

Understanding The Role of Heparinoids on the SARS-CoV-2 Spike Protein through Molecular Dynamics Simulations

This study uses molecular dynamics simulations to investigate how heparinoids interact with the SARS-CoV-2 spike protein and ACE2 receptor, revealing mechanisms behind their inhibitory effects.

Random glucose GWAS in 493,036 individuals provides insights into diabetes pathophysiology, complications and treatment stratification

This study performs a GWAS on random glucose measurements in 493,036 individuals, identifying 128 loci associated with glycaemic traits and providing insights into diabetes biology and treatment.