Nuclear Receptors: From Drugs to Food, and from In Silico to In Vitro

by Pietro Cozzini, Francesca Spyrakis
Published 2017-12-01

The EU’s Per- and Polyfluoroalkyl Substances (PFAS) Ban: A Case of Policy over Science

by Francesca Spyrakis, Tommaso A. Dragani
Published 2023-08-01

Editorial: Computational methods for protein characterization: in memoriam of Donald Abraham

by Francesca Spyrakis, Glen E. Kellogg
Published 2023-09-01

Strigolactones, from Plants to Human Health: Achievements and Challenges

by Valentina Dell’Oste, Francesca Spyrakis, Cristina Prandi
Published 2021-07-01

Applying Computational Scoring Functions to Assess Biomolecular Interactions in Food Science: Applications to the Estrogen Receptors

by Francesca Spyrakis, Pietro Cozzini, Glen Eugene Kellogg
Published 2016-10-01

HINT, a code for understanding the interaction between biomolecules: a tribute to Donald J. Abraham

by Glen E. Kellogg, Anna Marabotti, Francesca Spyrakis, Andrea Mozzarelli
Published 2023-06-01

Can We Exploit β-Lactamases Intrinsic Dynamics for Designing More Effective Inhibitors?

by Eleonora Gianquinto, Donatella Tondi, Giulia D'Arrigo, Loretta Lazzarato, Francesca Spyrakis
Published 2020-11-01

Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction

by Giulia D’Arrigo, Eleonora Gianquinto, Giulia Rossetti, Gabriele Cruciani, Stefano Lorenzetti, Francesca Spyrakis
Published 2021-03-01

Exploring Ligand Binding Domain Dynamics in the NRs Superfamily

by Giulia D’Arrigo, Ida Autiero, Eleonora Gianquinto, Lydia Siragusa, Massimo Baroni, Gabriele Cruciani, Francesca Spyrakis
Published 2022-08-01

Evaluation of Porcine and <i>Aspergillus oryzae</i> α-Amylases as Possible Model for the Human Enzyme

by Mauro Marengo, Davide Pezzilli, Eleonora Gianquinto, Alex Fissore, Simonetta Oliaro-Bosso, Barbara Sgorbini, Francesca Spyrakis, Salvatore Adinolfi
Published 2022-04-01

Iron Metabolism at the Interface between Host and Pathogen: From Nutritional Immunity to Antibacterial Development

by Marialaura Marchetti, Omar De Bei, Stefano Bettati, Barbara Campanini, Sandra Kovachka, Eleonora Gianquinto, Francesca Spyrakis, Luca Ronda
Published 2020-03-01

Bound water at protein-protein interfaces: partners, roles and hydrophobic bubbles as a conserved motif.

by Mostafa H Ahmed, Francesca Spyrakis, Pietro Cozzini, Parijat K Tripathi, Andrea Mozzarelli, J Neel Scarsdale, Martin A Safo, Glen E Kellogg
Published 2011-01-01

<i>N</i>-[1,3-Dialkyl(aryl)-2-oxoimidazolidin-4-ylidene]-aryl(alkyl)sulphonamides as Novel Selective Human Cannabinoid Type 2 Receptor (hCB2R) Ligands; Insights into the Mechanism...

by Eleonora Gianquinto, Federica Sodano, Barbara Rolando, Magdalena Kostrzewa, Marco Allarà, Ali Mokhtar Mahmoud, Poulami Kumar, Francesca Spyrakis, Alessia Ligresti, Konstantin Chegaev
Published 2022-11-01

4-Amino-1,2,4-triazole-3-thione as a Promising Scaffold for the Inhibition of Serine and Metallo-<i>β</i>-Lactamases

by Pasquale Linciano, Eleonora Gianquinto, Martina Montanari, Lorenzo Maso, Pierangelo Bellio, Esmeralda Cebrián-Sastre, Giuseppe Celenza, Jesús Blázquez, Laura Cendron, Francesca Spyrakis, Donatella Tondi
Published 2020-03-01

Strigolactone Analogs Are Promising Antiviral Agents for the Treatment of Human Cytomegalovirus Infection

by Matteo Biolatti, Marco Blangetti, Giulia D’Arrigo, Francesca Spyrakis, Paola Cappello, Camilla Albano, Paolo Ravanini, Santo Landolfo, Marco De Andrea, Cristina Prandi, Valentina Dell’Oste
Published 2020-05-01

Chemical Modulation of the 1-(Piperidin-4-yl)-1,3-dihydro-2<i>H</i>-benzo[d]imidazole-2-one Scaffold as a Novel NLRP3 Inhibitor

by Simone Gastaldi, Valentina Boscaro, Eleonora Gianquinto, Christina F. Sandall, Marta Giorgis, Elisabetta Marini, Federica Blua, Margherita Gallicchio, Francesca Spyrakis, Justin A. MacDonald, Massimo Bertinaria
Published 2021-06-01

Repurposing the Trypanosomatidic GSK Kinetobox for the Inhibition of Parasitic Pteridine and Dihydrofolate Reductases

by Matteo Santucci, Rosaria Luciani, Eleonora Gianquinto, Cecilia Pozzi, Flavio di Pisa, Lucia dello Iacono, Giacomo Landi, Lorenzo Tagliazucchi, Stefano Mangani, Francesca Spyrakis, Maria Paola Costi
Published 2021-11-01

Isozyme-specific ligands for O-acetylserine sulfhydrylase, a novel antibiotic target.

by Francesca Spyrakis, Ratna Singh, Pietro Cozzini, Barbara Campanini, Enea Salsi, Paolo Felici, Samanta Raboni, Paolo Benedetti, Gabriele Cruciani, Glen E Kellogg, Paul F Cook, Andrea Mozzarelli
Published 2013-01-01

Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-β-Lactamases and Synergistic Activity on Resistant Bacteria

by Matteo Bersani, Mariacristina Failla, Filippo Vascon, Eleonora Gianquinto, Laura Bertarini, Massimo Baroni, Gabriele Cruciani, Federica Verdirosa, Filomena Sannio, Jean-Denis Docquier, Laura Cendron, Francesca Spyrakis, Loretta Lazzarato, Donatella Tondi
Published 2023-12-01

CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin.

by Matteo Gabba, Stefania Abbruzzetti, Francesca Spyrakis, Flavio Forti, Stefano Bruno, Andrea Mozzarelli, F Javier Luque, Cristiano Viappiani, Pietro Cozzini, Marco Nardini, Francesca Germani, Martino Bolognesi, Luc Moens, Sylvia Dewilde
Published 2013-01-01