Mechanistic Modeling of Monoglyceride Lipase Covalent Modification Elucidates the Role of Leaving Group Expulsion and Discriminates Inhibitors with High and Low Potency

por Galvani, Francesca, Scalvini, Laura, Rivara, Silvia, Lodola, Alessio, Mor, Marco
Publicado 2022

Free-Energy Simulations Support a Lipophilic Binding Route for Melatonin Receptors

por Elisi, Gian Marco, Scalvini, Laura, Lodola, Alessio, Mor, Marco, Rivara, Silvia
Publicado 2021

Different roles for the acyl chain and the amine leaving group in the substrate selectivity of N-Acylethanolamine acid amidase

por Ghidini, Andrea, Scalvini, Laura, Palese, Francesca, Lodola, Alessio, Mor, Marco, Piomelli, Daniele
Publicado 2021

Unbinding Kinetics of Muscarinic M3 Receptor Antagonists Explained by Metadynamics Simulations

por Galvani, Francesca, Pala, Daniele, Cuzzolin, Alberto, Scalvini, Laura, Lodola, Alessio, Mor, Marco, Rizzi, Andrea
Publicado 2023

Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents

por Arafet, Kemel, Scalvini, Laura, Galvani, Francesca, Martí, Sergio, Moliner, Vicent, Mor, Marco, Lodola, Alessio
Publicado 2023

Comparative Analysis of Virtual Screening Approaches in the Search for Novel EphA2 Receptor Antagonists

por Callegari, Donatella, Pala, Daniele, Scalvini, Laura, Tognolini, Massimiliano, Incerti, Matteo, Rivara, Silvia, Mor, Marco, Lodola, Alessio
Publicado 2015

Protein-Protein Interaction Inhibitors Targeting the Eph-Ephrin System with a Focus on Amino Acid Conjugates of Bile Acids

por Guidetti, Lorenzo, Castelli, Riccardo, Scalvini, Laura, Ferlenghi, Francesca, Corrado, Miriam, Giorgio, Carmine, Tognolini, Massimiliano, Lodola, Alessio
Publicado 2022

Free-energy studies reveal a possible mechanism for oxidation-dependent inhibition of MGL

por Scalvini, Laura, Vacondio, Federica, Bassi, Michele, Pala, Daniele, Lodola, Alessio, Rivara, Silvia, Jung, Kwang-Mook, Piomelli, Daniele, Mor, Marco
Publicado 2016

Chiral Recognition of Flexible Melatonin Receptor Ligands Induced by Conformational Equilibria

por Elisi, Gian Marco, Bedini, Annalida, Scalvini, Laura, Carmi, Caterina, Bartolucci, Silvia, Lucini, Valeria, Scaglione, Francesco, Mor, Marco, Rivara, Silvia, Spadoni, Gilberto
Publicado 2020

Synthesis and Characterization of New Bivalent Agents as Melatonin- and Histamine H(3)-Ligands

por Pala, Daniele, Scalvini, Laura, Lodola, Alessio, Mor, Marco, Flammini, Lisa, Barocelli, Elisabetta, Lucini, Valeria, Scaglione, Francesco, Bartolucci, Silvia, Bedini, Annalida, Rivara, Silvia, Spadoni, Gilberto
Publicado 2014

Amino Acid Derivatives as Palmitoylethanolamide Prodrugs: Synthesis, In Vitro Metabolism and In Vivo Plasma Profile in Rats

por Vacondio, Federica, Bassi, Michele, Silva, Claudia, Castelli, Riccardo, Carmi, Caterina, Scalvini, Laura, Lodola, Alessio, Vivo, Valentina, Flammini, Lisa, Barocelli, Elisabetta, Mor, Marco, Rivara, Silvia
Publicado 2015

Repurposing of Drugs Targeting YAP-TEAD Functions

por Elisi, Gian Marco, Santucci, Matteo, D’Arca, Domenico, Lauriola, Angela, Marverti, Gaetano, Losi, Lorena, Scalvini, Laura, Bolognesi, Maria Laura, Mor, Marco, Costi, Maria Paola
Publicado 2018

New Coumarin Derivatives as Cholinergic and Cannabinoid System Modulators

por Montanari, Serena, Allarà, Marco, Scalvini, Laura, Kostrzewa, Magdalena, Belluti, Federica, Gobbi, Silvia, Naldi, Marina, Rivara, Silvia, Bartolini, Manuela, Ligresti, Alessia, Bisi, Alessandra, Rampa, Angela
Publicado 2021

Phenotype Screening of an Azole-bisindole Chemical Library Identifies URB1483 as a New Antileishmanial Agent Devoid of Toxicity on Human Cells

por Diotallevi, Aurora, Scalvini, Laura, Buffi, Gloria, Pérez-Pertejo, Yolanda, De Santi, Mauro, Verboni, Michele, Favi, Gianfranco, Magnani, Mauro, Lodola, Alessio, Lucarini, Simone, Galluzzi, Luca
Publicado 2021

Molecular Determinants of EphA2 and EphB2 Antagonism Enable the Design of Ligands with Improved Selectivity

por Guidetti, Lorenzo, Zappia, Alfonso, Scalvini, Laura, Ferrari, Francesca Romana, Giorgio, Carmine, Castelli, Riccardo, Galvani, Francesca, Vacondio, Federica, Rivara, Silvia, Mor, Marco, Urbinati, Chiara, Rusnati, Marco, Tognolini, Massimiliano, Lodola, Alessio
Publicado 2023

New classes of potent heparanase inhibitors from ligand-based virtual screening

por Pala, Daniele, Scalvini, Laura, Elisi, Gian Marco, Lodola, Alessio, Mor, Marco, Spadoni, Gilberto, Ferrara, Fabiana F., Pavoni, Emiliano, Roscilli, Giuseppe, Milazzo, Ferdinando M., Battistuzzi, Gianfranco, Rivara, Silvia, Giannini, Giuseppe
Publicado 2020

Identification of a Quinone Derivative as a YAP/TEAD Activity Modulator from a Repurposing Library

por Lauriola, Angela, Uliassi, Elisa, Santucci, Matteo, Bolognesi, Maria Laura, Mor, Marco, Scalvini, Laura, Elisi, Gian Marco, Gozzi, Gaia, Tagliazucchi, Lorenzo, Marverti, Gaetano, Ferrari, Stefania, Losi, Lorena, D’Arca, Domenico, Costi, Maria Paola
Publicado 2022