SPYRAKIS, FRANCESCA

SPYRAKIS, FRANCESCA  

Dipartimento di Scienze della Vita  

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Titolo Data di pubblicazione Autore(i) File
A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins 1-gen-2015 Spyrakis, Francesca; Benedetti, Paolo; Decherchi, Sergio; Rocchia, Walter; Cavalli, Andrea; Alcaro, Stefano; Ortuso, Francesco; Baroni, Massimo; Cruciani, Gabriele
Antitarget, Anti-SARS-CoV-2 Leads, Drugs, and the Drug Discovery-Genetics Alliance Perspective 1-gen-2023 Pozzi, Cecilia; Vanet, Anne; Francesconi, Valeria; Tagliazucchi, Lorenzo; Tassone, Giusy; Venturelli, Alberto; Spyrakis, Francesca; Mazzorana, Marco; Costi, Maria P; Tonelli, Michele
Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors 1-gen-2017 Panecka-Hofman, Joanna; Pöhner, Ina; Spyrakis, Francesca; Zeppelin, Talia; Di Pisa, Flavio; Dello Iacono, Lucia; Bonucci, Alessio; Quotadamo, Antonio; Venturelli, Alberto; Mangani, Stefano; Costi, Maria Paola; Wade, Rebecca C.
Comparing Drug Images and Repurposing Drugs with BioGPS and FLAPdock: The Thymidylate Synthase Case 1-gen-2016 Siragusa, Lydia; Luciani, Rosaria; Borsari, Chiara; Ferrari, Stefania; Costi, Maria Paola; Cruciani, Gabriele; Spyrakis, Francesca
Computational and biological profile of boronic acids for the detection of bacterial serine- and metallo-beta-lactamases 1-gen-2017 Santucci, Matteo; Spyrakis, Francesca; Cross, Simon; Quotadamo, Antonio; Farina, Davide; Tondi, Donatella; De Luca, Filomena; Docquier, Jean-Denis; Prieto, Ana Isabel; Ibacache, Claudia; Blázquez, Jesús; Venturelli, Alberto; Cruciani, Gabriele; Costi, Maria Paola
DESIGNING NOVEL INHIBITORS FOR CARBAPENEMASES: A MULTIDISCIPLINARY APPROACH 1-gen-2016 Spyrakis, Francesca; Bellio, Pierangelo; Vicario, Mattia; Cendron, Laura; Marcoccia, Francesca; Perilli, Mariagrazia; Cruciani, Gabriele; Costi, Maria Paola; Celenza, Giuseppe; Tondi, Donatella
From extended spectrum beta-lactamases to carbapenemases: the never ending challenge against Gram-negative bacteria 1-gen-2015 Spyrakis, Francesca
In silico prediction of the interaction of legacy and novel per- and poly-fluoroalkyl substances (PFAS) with selected human transporters and of their possible accumulation in the human body 1-gen-2024 Tiburtini, G. A.; Bertarini, L.; Bersani, M.; Dragani, T. A.; Rolando, B.; Binello, A.; Barge, A.; Spyrakis, F.
IN SILICO/IN VITRO APPROACHES FOR THE IDENTIFICATION OF NEW CARBAPENEMASE INHIBITORS 1-gen-2018 Spyrakis, F.; Tondi, D.; Celenza, G.; D’Arrigo, G.; Gianquinto, E.; Santucci, M.; Cross, S.; Bellio, P.; Cendron, L.; Docquier, Jd.; Blàzquez, J.; Venturelli, A.; Cruciani, G.; Costi, Mp.
Label-free fiber optic optrode for the detection of class C beta-lactamases expressed by drug resistant bacteria 1-gen-2017 Zuppolini, S; Quero, G; Consales, M; Diodato, L; Vaiano, P; Venturelli, A; Santucci, M; Spyrakis, F; Costi, Mp; Giordano, M; Cutolo, A; Cusano, A; Borriello, Alessandro
Long period fiber grating working in reflection mode as valuable biosensing platform for the detection of drug resistant bacteria 1-gen-2016 Quero, G.; Zuppolini, S.; Consales, M.; Diodato, L.; Vaiano, P.; Venturelli, A.; Santucci, M.; Spyrakis, F.; Costi, M. P.; Giordano, M.; Borriello, A.; Cutolo, A.; Cusano, A.
Multiligand approach to the identification of resistant strains overexpressing beta-lactamase 1-gen-2017 Costi, Maria Paola; Santucci, Matteo; Spyrakis, Francesca; Cross, Simon; Farina, Davide Salvatore Francesco; Tondi, Donatella; Quotadamo, Antonio; Docquier, Jean Denis; Croce, Filomena; Prieto, Ana Isabel; Ibacache, Claudia; Blázquez, Jesús; Venturelli, Alberto; Cruciani, Gabriele
Novel peptide-conjugated nanomedicines for brain targeting: In vivo evidence 1-gen-2020 Duskey, J. T.; Ottonelli, I.; Da Ros, F.; Vilella, A.; Zoli, M.; Kovachka, S.; Spyrakis, F.; Vandelli, M. A.; Tosi, G.; Ruozi, B.
Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description 1-gen-2015 Spyrakis, Francesca; Cavasotto, Claudio N.
Repurposing the trypanosomatidic gsk kinetobox for the inhibition of parasitic pteridine and dihydrofolate reductases 1-gen-2021 Santucci, M.; Luciani, R.; Gianquinto, E.; Pozzi, C.; Di Pisa, F.; Dello Iacono, L.; Landi, G.; Tagliazucchi, L.; Mangani, S.; Spyrakis, F.; Costi, M. P.
SOS response in bacteria: inhibitory activity of lichen secondary metabolites against RecA protein 1-gen-2016 Di Pietro, Letizia; Bellio, Pierangelo; Mancini, Alessia; Tondi, Donatella; Spyrakis, Francesca; Cendron, Laura; Nicoletti, Mario; Piovano, Mario; Perilli, Mariagrazia; Celenza, Giuseppe
Structure based drug design: the discovery of novel inhibitors active against New Delhi Metallo-β-lactamase-1 1-gen-2017 Cendron, Laura; Spyrakis, Francesca; Marcoccia, Francesca; Cross, Simon; Bellio, Pierangelo; Celenza, Giuseppe; Perilli, Mariagrazia; Tondi, Donatella
Structure-based virtual screening for the discovery of novel inhibitors of New Delhi Metallo-β-lactamase-1 1-gen-2018 Spyrakis, Francesca; Celenza, Giuseppe; Marcoccia, Francesca; Santucci, Matteo; Cross, Simon; Bellio, Pierangelo; Cendron, Laura; Perilli, Mariagrazia; Tondi, Donatella
Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer 1-gen-2024 Pippione, Agnese Chiara; Kovachka, Sandra; Vigato, Chiara; Bertarini, Laura; Mannella, Iole; Sainas, Stefano; Rolando, Barbara; Denasio, Enrica; Piercy-Mycock, Helen; Romalho, Linda; Salladini, Edoardo; Adinolfi, Salvatore; Zonari, Daniele; Peraldo-Neia, Caterina; Chiorino, Giovanna; Passoni, Alice; Mirza, Osman Asghar; Frydenvang, Karla; Pors, Klaus; Lolli, Marco Lucio; Spyrakis, Francesca; Oliaro-Bosso, Simonetta; Boschi, Donatella
Target Flexibility: An Emerging Consideration in Drug Discovery and Design 1-gen-2008 Cozzini, P; Kellogg, Ge; Spyrakis, Francesca; Abraham, Dj; Costantino, G; Emerson, A; Fanelli, Francesca; Gohlke, H; Kuhn, La; Morris, Gm; Orozco, M; Pertinhez, Ta; Rizzi, M; Sotriffer, C.