SPYRAKIS, FRANCESCA

SPYRAKIS, FRANCESCA  

SCIENZA E TECNOLOGIA DEL FARMACO  

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Titolo Data di pubblicazione Autore(i) File
4-amino-1,2,4-triazole-3-thione as a promising scaffold for the inhibition of serine and metallo-β-lactamases 2020 Linciano P.; Gianquinto E.; Montanari M.; Maso L.; Bellio P.; Cebrian-Sastre E.; Celenza G.; Blazquez J.; Cendron L.; Spyrakis F.; Tondi D.
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics 2021 Gossen J.; Albani S.; Hanke A.; Joseph B.P.; Bergh C.; Kuzikov M.; Costanzi E.; Manelfi C.; Storici P.; Gribbon P.; Beccari A.R.; Talarico C.; Spyrakis F.; Lindahl E.; Zaliani A.; Carloni P.; Wade R.C.; Musiani F.; Kokh D.B.; Rossetti G.
A generator of peroxynitrite activatable with red light 2021 Parisi C.; Failla M.; Fraix A.; Menilli L.; Moret F.; Reddi E.; Rolando B.; Spyrakis F.; Lazzarato L.; Fruttero R.; Gasco A.; Sortino S.
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor 2012 Dal Palú, Alessandro; Spyrakis, Francesca; Cozzini, Pietro
A novel Bim-BH3-derived Bcl-XL inhibitor: Biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity 2008 Ponassi, Raffaella; Biasotti, Barbara; Tomati, Valeria; Bruno, Silvia; Poggi, Alessandro; Malacarne, Davide; Cimoli, Guido; Salis, Annalisa; Pozzi, Sarah; Miglino, Maurizio; Damonte, Gianluca; Cozzini, Pietro; Spyrakis, Francesca; Campanini, Barbara; Bagnasco, Luca; Castagnino, Nicoletta; Tortolina, Lorenzo; Mumot, Anna; Frassoni, Francesco; Daga, Antonio; Cilli, Michele; Piccardi, Federica; Monfardini, Ilaria; Perugini, Miriam; Zoppoli, Gabriele; D'Arrigo, Cristina; Pesenti, Raffaele; Parodi, Silvio
A novel small-molecule inhibitor of the human papillomavirus E6-p53 interaction that reactivates p53 function and blocks cancer cells growth 2020 Celegato, Marta; Messa, Lorenzo; Goracci, Laura; Mercorelli, Beatrice; Bertagnin, Chiara; Spyrakis, Francesca; Suarez, Irina; Cousido-Siah, Alexandra; Travé, Gilles; Banks, Lawrence; Cruciani, Gabriele; Palù, Giorgio; Loregian, Arianna
A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins 2015 Spyrakis, Francesca; Benedetti, Paolo; Decherchi, Sergio; Rocchia, Walter; Cavalli, Andrea; Alcaro, Stefano; Ortuso, Francesco; Baroni, Massimo; Cruciani, Gabriele
A structural homologue of the plant receptor D14 mediates responses to strigolactones in the fungal phytopathogen Cryphonectria parasitica 2022 Valentina Fiorilli, Marco Forgia, Alexandre de Saint Germain, Giulia D’Arrigo, David Cornu, Philippe Le Bris, Salim Al-Babili, Francesca Cardinale, Cristina Prandi, Francesca Spyrakis, François-Didier Boyer, Massimo Turina, Luisa Lanfranco
Allosteric communication between alpha and beta subunits of tryptophan synthase: Modelling the open-closed transition of the alpha subunit 2006 Spyrakis, Francesca; Raboni, Samanta; Cozzini, Pietro; Bettati, Stefano; Mozzarelli, Andrea
Application of an in house bioisosteric approach to the design of innovative inhibitors of aldo-keto reductase 1C3 (AKR1C3) 2019 Chiara Vigato, Agnese Chiara Pippione, Sandra Kovachka, Francesca Spyrakis, Martina Daga, Simonetta Oliaro Bosso, Marco Lucio Lolli, Donatella Boschi
Application of an in house bioisosteric approach to the design of innovative inhibitors of aldo-keto reductase 1C3 (AKR1C3) 2019 Chiara Vigato, Agnese Chiara Pippione, Sandra Kovachka, Francesca Spyrakis, Martina Daga, Simonetta Oliaro-Bosso, Marco Lucio Lolli, Donatella Boschi
Binding of androgen-and estrogen-like flavonoids to their cognate (Non)nuclear receptors: A comparison by computational prediction 2021 D'arrigo G.; Gianquinto E.; Rossetti G.; Cruciani G.; Lorenzetti S.; Spyrakis F.
BioGPS: The music for the chemo- and bioinformatics walzer 2014 Siragusa, Lydia; Spyrakis, Francesca; Goracci, Laura; Cross, Simon; Cruciani, Gabriele
Bound water at protein-protein interfaces: Partners, roles and hydrophobic bubbles as a conserved motif 2011 Ahmed, Mostafa H.; Spyrakis, Francesca; Cozzini, Pietro; Tripathi, Parijat K.; Mozzarelli, Andrea; Scarsdale, J. Neel; Safo, Martin A.; Kellogg, Glen E.
BROAD SPECTRUM METALLO beta-LACTAMASES INHIBITORS: NEW TOOLS AGAINST CLINICALLY-RELEVANT CARBAPENEMASES 2022 Lazzarato, L.; Failla, M.; Gianquinto, E.; Bersani, M.; Bertarini, L.; Verri, A.; Vascon, F.; Sannio, F.; Verdirosa, F.; Beatrice, N.; De Luca, F.; Costi, M.P.; Cruciani, G.; Docquier, J.D.; Cendron, L.; Spyrakis, F.; Tondi, D.
Can we exploit β-lactamases intrinsic dynamics for designing more effective inhibitors? 2020 Gianquinto E.; Tondi D.; D'arrigo G.; Lazzarato L.; Spyrakis F.
Chemical modulation of the 1-(Piperidin-4-yl)-1,3-dihydro-2h-benzo[d]imidazole-2-one scaffold as a novel NLRP3 inhibitor 2021 Gastaldi S.; Boscaro V.; Gianquinto E.; Sandall C.F.; Giorgis M.; Marini E.; Blua F.; Gallicchio M.; Spyrakis F.; Macdonald J.A.; Bertinaria M.
Chemogenomics of pyridoxal 5′-phosphate dependent enzymes 2013 Singh, Ratna; Spyrakis, Francesca; Cozzini, Pietro; Paiardini, Alessandro; Pascarella, Stefano; Mozzarelli, Andrea
CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin 2013 Gabba, Matteo; Abbruzzetti, Stefania; Spyrakis, Francesca; Forti, Flavio; Bruno, Stefano; Mozzarelli, Andrea; Luque, F. Javier; Viappiani, Cristiano; Cozzini, Pietro; Nardini, Marco; Germani, Francesca; Bolognesi, Martino; Moens, Luc; Dewilde, Sylvia
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 2013 Spyrakis, Francesca; Lucas, Fátima; Bidon-Chanal, Axel; Viappiani, Cristiano; Guallar, Victor; Luque, F. Javier