Repurposing the estrogen receptor modulator raloxifene to treat SARS-CoV-2 infection
Allegretti, Marcello, Cesta, Maria Candida, Zippoli, Mara, Beccari, Andrea, Talarico, Carmine, Mantelli, Flavio, Bucci, Enrico M, Scorzolini, Laura, Nicastri, Emanuele
Published in Cell death and differentiation (01.01.2022)
Published in Cell death and differentiation (01.01.2022)
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Journal Article
Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations
Grottesi, Alessandro, Bešker, Neva, Emerson, Andrew, Manelfi, Candida, Beccari, Andrea R, Frigerio, Francesco, Lindahl, Erik, Cerchia, Carmen, Talarico, Carmine
Published in International journal of molecular sciences (28.07.2020)
Published in International journal of molecular sciences (28.07.2020)
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Journal Article
Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative
Gervasoni, Silvia, Manelfi, Candida, Adobati, Sara, Talarico, Carmine, Biswas, Akash Deep, Pedretti, Alessandro, Vistoli, Giulio, Beccari, Andrea R
Published in International journal of molecular sciences (29.12.2023)
Published in International journal of molecular sciences (29.12.2023)
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Journal Article
A Comprehensive Mapping of the Druggable Cavities within the SARS-CoV-2 Therapeutically Relevant Proteins by Combining Pocket and Docking Searches as Implemented in Pockets 2.0
Gervasoni, Silvia, Vistoli, Giulio, Talarico, Carmine, Manelfi, Candida, Beccari, Andrea R, Studer, Gabriel, Tauriello, Gerardo, Waterhouse, Andrew Mark, Schwede, Torsten, Pedretti, Alessandro
Published in International journal of molecular sciences (21.07.2020)
Published in International journal of molecular sciences (21.07.2020)
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Journal Article
Paclitaxel binds and activates C5aR1: A new potential therapeutic target for the prevention of chemotherapy-induced peripheral neuropathy and hypersensitivity reactions
Brandolini, Laura, d'Angelo, Michele, Novelli, Rubina, Castelli, Vanessa, Giorgio, Cristina, Sirico, Anna, Cocchiaro, Pasquale, D'Egidio, Francesco, Benedetti, Elisabetta, Cristiano, Claudia, Bugatti, Antonella, Ruocco, Anna, Amendola, Pier Giorgio, Talarico, Carmine, Manelfi, Candida, Iaconis, Daniela, Beccari, Andrea, Quadros, Andreza U, Cunha, Thiago M, Caruso, Arnaldo, Russo, Roberto, Cimini, Annamaria, Aramini, Andrea, Allegretti, Marcello
Published in Cell death & disease (25.05.2022)
Published in Cell death & disease (25.05.2022)
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Journal Article
Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on The hTRPM8 Channel
Talarico, Carmine, Gervasoni, Silvia, Manelfi, Candida, Pedretti, Alessandro, Vistoli, Giulio, Beccari, Andrea R
Published in International journal of molecular sciences (25.03.2020)
Published in International journal of molecular sciences (25.03.2020)
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Journal Article
Characterization of raloxifene as a potential pharmacological agent against SARS-CoV-2 and its variants
Iaconis, Daniela, Bordi, Licia, Matusali, Giulia, Talarico, Carmine, Manelfi, Candida, Cesta, Maria Candida, Zippoli, Mara, Caccuri, Francesca, Bugatti, Antonella, Zani, Alberto, Filippini, Federica, Scorzolini, Laura, Gobbi, Marco, Beeg, Marten, Piotti, Arianna, Montopoli, Monica, Cocetta, Veronica, Bressan, Silvia, Bucci, Enrico M, Caruso, Arnaldo, Nicastri, Emanuele, Allegretti, Marcello, Beccari, Andrea R
Published in Cell death & disease (25.05.2022)
Published in Cell death & disease (25.05.2022)
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Journal Article
Extensive Sampling of Molecular Dynamics Simulations to Identify Reliable Protein Structures for Optimized Virtual Screening Studies: The Case of the hTRPM8 Channel
Gervasoni, Silvia, Talarico, Carmine, Manelfi, Candida, Pedretti, Alessandro, Vistoli, Giulio, Beccari, Andrea R.
Published in International journal of molecular sciences (08.07.2022)
Published in International journal of molecular sciences (08.07.2022)
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Journal Article
Identification of Inhibitors of SARS-CoV‑2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen
Kuzikov, Maria, Costanzi, Elisa, Reinshagen, Jeanette, Esposito, Francesca, Vangeel, Laura, Wolf, Markus, Ellinger, Bernhard, Claussen, Carsten, Geisslinger, Gerd, Corona, Angela, Iaconis, Daniela, Talarico, Carmine, Manelfi, Candida, Cannalire, Rolando, Rossetti, Giulia, Gossen, Jonas, Albani, Simone, Musiani, Francesco, Herzog, Katja, Ye, Yang, Giabbai, Barbara, Demitri, Nicola, Jochmans, Dirk, Jonghe, Steven De, Rymenants, Jasper, Summa, Vincenzo, Tramontano, Enzo, Beccari, Andrea R, Leyssen, Pieter, Storici, Paola, Neyts, Johan, Gribbon, Philip, Zaliani, Andrea
Published in ACS pharmacology & translational science (11.06.2021)
Published in ACS pharmacology & translational science (11.06.2021)
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Journal Article
The Spike Mutants Website: A Worldwide Used Resource against SARS-CoV-2
Romeo, Isabella, Prandi, Ingrid Guarnetti, Giombini, Emanuela, Gruber, Cesare Ernesto Maria, Pietrucci, Daniele, Borocci, Stefano, Abid, Nabil, Fava, Anna, Beccari, Andrea R., Chillemi, Giovanni, Talarico, Carmine
Published in International journal of molecular sciences (01.11.2022)
Published in International journal of molecular sciences (01.11.2022)
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Journal Article
Structural Evolution of Delta (B.1.617.2) and Omicron (BA.1) Spike Glycoproteins
Prandi, Ingrid Guarnetti, Mavian, Carla, Giombini, Emanuela, Gruber, Cesare E. M., Pietrucci, Daniele, Borocci, Stefano, Abid, Nabil, Beccari, Andrea R., Talarico, Carmine, Chillemi, Giovanni
Published in International journal of molecular sciences (01.08.2022)
Published in International journal of molecular sciences (01.08.2022)
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Journal Article
Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease
Manelfi, Candida, Gossen, Jonas, Gervasoni, Silvia, Talarico, Carmine, Albani, Simone, Philipp, Benjamin Joseph, Musiani, Francesco, Vistoli, Giulio, Rossetti, Giulia, Beccari, Andrea Rosario, Pedretti, Alessandro
Published in Molecules (Basel, Switzerland) (04.02.2021)
Published in Molecules (Basel, Switzerland) (04.02.2021)
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Journal Article
Altered Local Interactions and Long-Range Communications in UK Variant (B.1.1.7) Spike Glycoprotein
Borocci, Stefano, Cerchia, Carmen, Grottesi, Alessandro, Sanna, Nico, Prandi, Ingrid Guarnetti, Abid, Nabil, Beccari, Andrea R, Chillemi, Giovanni, Talarico, Carmine
Published in International journal of molecular sciences (22.05.2021)
Published in International journal of molecular sciences (22.05.2021)
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Journal Article
Structure of human TRPM8 channel
Palchevskyi, Sergii, Czarnocki-Cieciura, Mariusz, Vistoli, Giulio, Gervasoni, Silvia, Nowak, Elżbieta, Beccari, Andrea R, Nowotny, Marcin, Talarico, Carmine
Published in Communications biology (19.10.2023)
Published in Communications biology (19.10.2023)
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Journal Article
DHFR Inhibitors Display a Pleiotropic Anti-Viral Activity against SARS-CoV-2: Insights into the Mechanisms of Action
Iaconis, Daniela, Caccuri, Francesca, Manelfi, Candida, Talarico, Carmine, Bugatti, Antonella, Filippini, Federica, Zani, Alberto, Novelli, Rubina, Kuzikov, Maria, Ellinger, Bernhard, Gribbon, Philip, Riecken, Kristoffer, Esposito, Francesca, Corona, Angela, Tramontano, Enzo, Beccari, Andrea Rosario, Caruso, Arnaldo, Allegretti, Marcello
Published in Viruses (09.05.2023)
Published in Viruses (09.05.2023)
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Journal Article
Binding Mode Exploration of B1 Receptor Antagonists' by the Use of Molecular Dynamics and Docking Simulation-How Different Target Engagement Can Determine Different Biological Effects
Gemei, Marica, Talarico, Carmine, Brandolini, Laura, Manelfi, Candida, Za, Lorena, Bovolenta, Silvia, Liberati, Chiara, Vecchio, Luigi Del, Russo, Roberto, Cerchia, Carmen, Allegretti, Marcello, Beccari, Andrea Rosario
Published in International journal of molecular sciences (16.10.2020)
Published in International journal of molecular sciences (16.10.2020)
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Journal Article
Computational Insights into the Sequence-Activity Relationships of the NGF(1–14) Peptide by Molecular Dynamics Simulations
Vittorio, Serena, Manelfi, Candida, Gervasoni, Silvia, Beccari, Andrea R, Pedretti, Alessandro, Vistoli, Giulio, Talarico, Carmine
Published in Cells (Basel, Switzerland) (01.09.2022)
Published in Cells (Basel, Switzerland) (01.09.2022)
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Journal Article
Relevance of Spike/Estrogen Receptor-α interaction for endothelial-based coagulopathy induced by SARS-CoV-2
Barbieri, Silvia Stella, Cattani, Franca, Sandrini, Leonardo, Grillo, Magda Maria, Amendola, Alessandra, Valente, Carmen, Talarico, Carmine, Iaconis, Daniela, Turacchio, Gabriele, Lucariello, Miriam, Lione, Lucia, Salvatori, Erika, Amadio, Patrizia, Garoffolo, Gloria, Maffei, Mariano, Galli, Francesca, Beccari, Andrea Rosario, Sberna, Giuseppe, Marra, Emanuele, Zoppi, Marica, Michaelides, Michael, Roscilli, Giuseppe, Aurisicchio, Luigi, Bertini, Riccardo, Allegretti, Marcello, Pesce, Maurizio
Published in Signal transduction and targeted therapy (19.05.2023)
Published in Signal transduction and targeted therapy (19.05.2023)
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Journal Article
The Mu.Ta.Lig. Chemotheca: A Community-Populated Molecular Database for Multi-Target Ligands Identification and Compound-Repurposing
Ortuso, Francesco, Bagetta, Donatella, Maruca, Annalisa, Talarico, Carmine, Bolognesi, Maria L, Haider, Norbert, Borges, Fernanda, Bryant, Sharon, Langer, Thierry, Senderowitz, Hanoch, Alcaro, Stefano
Published in Frontiers in chemistry (19.04.2018)
Published in Frontiers in chemistry (19.04.2018)
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