Extensive Molecular Dynamics Simulations Disclosed the Stability of mPGES‐1 Enzyme and the Structural Role of Glutathione (GSH) Cofactor

por Di Micco, Simone, Lauro, Gianluigi, Bifulco, Giuseppe
Publicado 2022

Editorial: Novel Strategies in Drug Development Against Multifactorial Diseases

por Esposito, Cinzia, Johansson, Catrine, Di Micco, Simone
Publicado 2022

Virtual Fragment Screening Identification of a Quinoline‐5,8‐dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor

por Giordano, Assunta, del Gaudio, Federica, Johansson, Catrine, Riccio, Raffaele, Oppermann, Udo, Di Micco, Simone
Publicado 2018

In silico Analysis Revealed Potential Anti-SARS-CoV-2 Main Protease Activity by the Zonulin Inhibitor Larazotide Acetate

por Di Micco, Simone, Musella, Simona, Scala, Maria C., Sala, Marina, Campiglia, Pietro, Bifulco, Giuseppe, Fasano, Alessio
Publicado 2021

Identification of 2-(thiophen-2-yl)acetic Acid-Based Lead Compound for mPGES-1 Inhibition

por Di Micco, Simone, Terracciano, Stefania, Ruggiero, Dafne, Potenza, Marianna, Vaccaro, Maria C., Fischer, Katrin, Werz, Oliver, Bruno, Ines, Bifulco, Giuseppe
Publicado 2021

Peptide Derivatives of the Zonulin Inhibitor Larazotide (AT1001) as Potential Anti SARS-CoV-2: Molecular Modelling, Synthesis and Bioactivity Evaluation

por Di Micco, Simone, Musella, Simona, Sala, Marina, Scala, Maria C., Andrei, Graciela, Snoeck, Robert, Bifulco, Giuseppe, Campiglia, Pietro, Fasano, Alessio
Publicado 2021

Plakilactones G and H from a marine sponge. Stereochemical determination of highly flexible systems by quantitative NMR-derived interproton distances combined with quantum mechanic...

por Di Micco, Simone, Zampella, Angela, D’Auria, Maria Valeria, Festa, Carmen, De Marino, Simona, Riccio, Raffaele, Butts, Craig P, Bifulco, Giuseppe
Publicado 2013

Overcome Chemoresistance: Biophysical and Structural Analysis of Synthetic FHIT-Derived Peptides

por Scala, Maria Carmina, Di Micco, Simone, Lanzillotta, Delia, Musella, Simona, Di Sarno, Veronica, Parrino, Barbara, Cascioferro, Stella Maria, Bifulco, Giuseppe, Trapasso, Francesco, Campiglia, Pietro, Sala, Marina
Publicado 2021

Corrigendum: Overcome Chemoresistance: Biophysical and Structural Analysis of Synthetic FHIT-Derived Peptides

por Scala, Maria Carmina, Di Micco, Simone, Lanzillotta, Delia, Musella, Simona, Di Sarno, Veronica, Parrino, Barbara, Cascioferro, Stella Maria, Bifulco, Giuseppe, Trapasso, Francesco, Campiglia, Pietro, Sala, Marina
Publicado 2022

Identification of 2,4‐Dinitro‐Biphenyl‐Based Compounds as MAPEG Inhibitors

por Di Micco, Simone, Terracciano, Stefania, Pierri, Martina, Cantone, Vincenza, Liening, Stefanie, König, Stefanie, Garscha, Ulrike, Hofstetter, Robert Klaus, Koeberle, Andreas, Werz, Oliver, Bruno, Ines, Bifulco, Giuseppe
Publicado 2022

Lactoferrin-derived Peptides Active towards Influenza: Identification of Three Potent Tetrapeptide Inhibitors

por Scala, Maria Carmina, Sala, Marina, Pietrantoni, Agostina, Spensiero, Antonia, Di Micco, Simone, Agamennone, Mariangela, Bertamino, Alessia, Novellino, Ettore, Bifulco, Giuseppe, Gomez-Monterrey, Isabel M., Superti, Fabiana, Campiglia, Pietro
Publicado 2017

Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2

por Di Micco, Simone, Rahimova, Rahila, Sala, Marina, Scala, Maria C., Vivenzio, Giovanni, Musella, Simona, Andrei, Graciela, Remans, Kim, Mammri, Léa, Snoeck, Robert, Bifulco, Giuseppe, Di Matteo, Francesca, Vestuto, Vincenzo, Campiglia, Pietro, Márquez, José A., Fasano, Alessio
Publicado 2022

In Silico Identification and In Vitro Evaluation of New ABCG2 Transporter Inhibitors as Potential Anticancer Agents

por Di Micco, Simone, Di Sarno, Veronica, Rossi, Martina, Vestuto, Vincenzo, Konno, Takumi, Novi, Sara, Tecce, Mario Felice, Napolitano, Valeria, Ciaglia, Tania, Vitale, Andrea, Gomez-Monterrey, Isabel Maria, Bifulco, Giuseppe, Bertamino, Alessia, Ostacolo, Carmine, Blasi, Paolo, Fasano, Alessio, Campiglia, Pietro, Musella, Simona
Publicado 2022

Design, Synthesis, and Pharmacological Characterization of a Potent Soluble Epoxide Hydrolase Inhibitor for the Treatment of Acute Pancreatitis

por Musella, Simona, D’Avino, Danilo, Peltner, Lukas Klaus, Di Sarno, Veronica, Cerqua, Ida, Merciai, Fabrizio, Vestuto, Vincenzo, Ciaglia, Tania, Smaldone, Gerardina, Di Matteo, Francesca, Di Micco, Simone, Napolitano, Valeria, Bifulco, Giuseppe, Pepe, Giacomo, Sommella, Eduardo Maria, Basilicata, Manuela Giovanna, Aquino, Giovanna, Gomez-Monterrey, Isabel M., Campiglia, Pietro, Ostacolo, Carmine, Roviezzo, Fiorentina, Werz, Oliver, Rossi, Antonietta, Bertamino, Alessia
Publicado 2023

Discovery and Optimization of Indoline-Based Compounds as Dual 5-LOX/sEH Inhibitors: In Vitro and In Vivo Anti-Inflammatory Characterization

por Cerqua, Ida, Musella, Simona, Peltner, Lukas Klaus, D’Avino, Danilo, Di Sarno, Veronica, Granato, Elisabetta, Vestuto, Vincenzo, Di Matteo, Rita, Pace, Simona, Ciaglia, Tania, Bilancia, Rossella, Smaldone, Gerardina, Di Matteo, Francesca, Di Micco, Simone, Bifulco, Giuseppe, Pepe, Giacomo, Basilicata, Manuela Giovanna, Rodriquez, Manuela, Gomez-Monterrey, Isabel M., Campiglia, Pietro, Ostacolo, Carmine, Roviezzo, Fiorentina, Werz, Oliver, Rossi, Antonietta, Bertamino, Alessia
Publicado 2022