Sfoglia per Autore
Identification of selective 5-LOX and FLAP inhibitors as novel anti-inflammatory agents by ligand-based virtual screening
2024 Cerchia, Carmen; Küfner, Laura; Werz, Oliver; Lavecchia, Antonio
Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination
2023 Stefanelli, Irina; Corona, Angela; Cerchia, Carmen; Cassese, Emilia; Improta, Salvatore; Costanzi, Elisa; Pelliccia, Sveva; Morasso, Stefano; Esposito, Francesca; Paulis, Annalaura; Scognamiglio, Sante; Di Leva, Francesco Saverio; Storici, Paola; Brindisi, Margherita; Tramontano, Enzo; Cannalire, Rolando; Summa, Vincenzo
New avenues in artificial-intelligence-assisted drug discovery
2023 Cerchia, Carmen; Lavecchia, Antonio
In Silico Drug Design and Discovery: Big Data for Small Molecule Design
2023 Cerchia, C.; Lavecchia, A.
Novel Reversible Inhibitors of Xanthine Oxidase Targeting the Active Site of the Enzyme
2023 Rullo, Rosario; Cerchia, Carmen; Nasso, Rosarita; Romanelli, Virgilio; DE VENDITTIS, Emmanuele; Masullo, Mariorosario; Lavecchia, Antonio
A New Antidiabetic Agent Showing Short- and Long-Term Effects Due to Peroxisome Proliferator-Activated Receptor Alpha/Gamma Dual Agonism and Mitochondrial Pyruvate Carrier Inhibition
2023 Laghezza, Antonio; Cerchia, Carmen; Genovese, Massimo; Leuci, Rosalba; Pranzini, Erica; Santi, Alice; Brunetti, Leonardo; Piemontese, Luca; Tortorella, Paolo; Biswas, Abanish; Pratap Singh, Ravi; Tambe, Suhas; Ca, Sudeep; Kumar Pattnaik, Ashok; Jayaprakash, Venkatesan; Paoli, Paolo; Lavecchia, Antonio; Loiodice, Fulvio
Impairment of Nucleolin Activity and Phosphorylation by a Trachylobane Diterpene from Psiadia punctulata in Cancer Cells
2022 Bellone, M. L.; Fiengo, L.; Cerchia, C.; Cotugno, R.; Bader, A.; Lavecchia, A.; De Tommasi, N.; Piaz, F. D.
Easy access to α-ketoamides as SARS-CoV-2 and MERS Mpro inhibitors via the PADAM oxidation route
2022 Pelliccia, Sveva; Cerchia, Carmen; Esposito, Francesca; Cannalire, Rolando; Corona, Angela; Costanzi, Elisa; Kuzikov, Maria; Gribbon, Philip; Zaliani, Andrea; Brindisi, Margherita; Storici, Paola; Tramontano, Enzo; Summa, Vincenzo
In Silico Identification of Novel Inhibitors Targeting the Homodimeric Interface of Superoxide Dismutase from the Dental Pathogen Streptococcus mutans
2022 Cerchia, Carmen; Roscetto, Emanuela; Nasso, Rosarita; Catania, Maria Rosaria; De Vendittis, Emmanuele; Lavecchia, Antonio; Masullo, Mariorosario; Rullo, Rosario
A chemoinformatics search for peroxisome proliferator-activated receptors ligands revealed a new pan-agonist able to reduce lipid accumulation and improve insulin sensitivity
2022 Sblano, Sabina; Cerchia, Carmen; Laghezza, Antonio; Piemontese, Luca; Brunetti, Leonardo; Leuci, Rosalba; Gilardi, Federica; Thomas, Aurelien; Genovese, Massimo; Santi, Alice; Tortorella, Paolo; Paoli, Paolo; Lavecchia, Antonio; Loiodice, Fulvio
“Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool
2021 Manelfi, C.; Gemei, M.; Talarico, C.; Cerchia, C.; Fava, A.; Lunghini, F.; Beccari, A. R.
A Series of Ferulic Acid Amides Reveals Unexpected Peroxiredoxin 1 Inhibitory Activity with in vivo Antidiabetic and Hypolipidemic Effects
2021 Yasmin, S.; Cerchia, C.; Badavath, V. N.; Laghezza, A.; Dal Piaz, F.; Mondal, S. K.; Atli, O.; Baysal, M.; Vadivelan, S.; Shankar, S.; Siddique, M. U. M.; Pattnaik, A. K.; Singh, R. P.; Loiodice, F.; Jayaprakash, V.; Lavecchia, A.
Altered Local Interactions and Long-Range Communications in UK Variant (B.1.1.7) Spike Glycoprotein
2021 Borocci, Stefano; Cerchia, Carmen; Grottesi, Alessandro; Sanna, Nico; Prandi, Ingrid Guarnetti; Abid, Nabil; Beccari, Andrea R; Chillemi, Giovanni; Talarico, Carmine
App maturation and intracellular localization are controlled by a specific inhibitor of 37/67 kda laminin-1 receptor in neuronal cells
2020 Bhattacharya, A.; Limone, A.; Napolitano, F.; Cerchia, C.; Parisi, S.; Minopoli, G.; Montuori, N.; Lavecchia, A.; Sarnataro, D.
Antitumor agents 7. Synthesis, antiproliferative activity and molecular modeling of new L-lysine-conjugated pyridophenoxazinones as potent DNA-binding ligands and topoisomerase IIα inhibitors
2020 Pedatella, S.; Cerchia, C.; Manfra, M.; Cioce, A.; Bolognese, A.; Lavecchia, A.
Sulfonimide and amide derivatives as novel PPARα antagonists: Synthesis, antiproliferative activity, and docking studies
2020 Ammazzalorso, A.; Bruno, I.; Florio, R.; de Lellis, L.; Laghezza, A.; Cerchia, C.; de Filippis, B.; Fantacuzzi, M.; Giampietro, L.; Maccallini, C.; Tortorella, P.; Veschi, S.; Loiodice, F.; Lavecchia, A.; Cama, A.; Amoroso, R.
SARS-CoV-2 Entry Inhibitors: Small Molecules and Peptides Targeting Virus or Host Cells
2020 Cannalire, Rolando; Stefanelli, Irina; Cerchia, Carmen; R Beccari, Andrea; Pelliccia, Sveva; Summa, Vincenzo
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
2020 Gemei, M.; Talarico, C.; Brandolini, L.; Manelfi, C.; Za, L.; Bovolenta, S.; Liberati, C.; Del Vecchio, L.; Russo, R.; Cerchia, C.; Allegretti, M.; Beccari, A. R.
Computational studies of SARS-CoV-2 3clpro: Insights from md simulations
2020 Grottesi, A.; Besker, N.; Emerson, A.; Manelfi, C.; Beccari, A. R.; Frigerio, F.; Lindahl, E.; Cerchia, C.; Talarico, C.
Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities
2020 Cannalire, Rolando; Cerchia, Carmen; Beccari, Andrea R; Di Leva, Francesco Saverio; Summa, Vincenzo
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| Identification of selective 5-LOX and FLAP inhibitors as novel anti-inflammatory agents by ligand-based virtual screening | 1.1 Articolo in rivista | 2024 | Cerchia, Carmen; Küfner, Laura; Werz, Oliver; Lavecchia, Antonio | |
| Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination | 1.1 Articolo in rivista | 2023 | Stefanelli, Irina; Corona, Angela; Cerchia, Carmen; Cassese, Emilia; Improta, Salvatore; Costanzi, Elisa; Pelliccia, Sveva; Morasso, Stefano; Esposito, Francesca; Paulis, Annalaura; Scognamiglio, Sante; Di Leva, Francesco Saverio; Storici, Paola; Brindisi, Margherita; Tramontano, Enzo; Cannalire, Rolando; Summa, Vincenzo | |
| New avenues in artificial-intelligence-assisted drug discovery | 1.1 Articolo in rivista | 2023 | Cerchia, Carmen; Lavecchia, Antonio | |
| In Silico Drug Design and Discovery: Big Data for Small Molecule Design | 1.1 Articolo in rivista | 2023 | Cerchia, C.; Lavecchia, A. | |
| Novel Reversible Inhibitors of Xanthine Oxidase Targeting the Active Site of the Enzyme | 1.1 Articolo in rivista | 2023 | Rullo, Rosario; Cerchia, Carmen; Nasso, Rosarita; Romanelli, Virgilio; DE VENDITTIS, Emmanuele; Masullo, Mariorosario; Lavecchia, Antonio | |
| A New Antidiabetic Agent Showing Short- and Long-Term Effects Due to Peroxisome Proliferator-Activated Receptor Alpha/Gamma Dual Agonism and Mitochondrial Pyruvate Carrier Inhibition | 1.1 Articolo in rivista | 2023 | Laghezza, Antonio; Cerchia, Carmen; Genovese, Massimo; Leuci, Rosalba; Pranzini, Erica; Santi, Alice; Brunetti, Leonardo; Piemontese, Luca; Tortorella, Paolo; Biswas, Abanish; Pratap Singh, Ravi; Tambe, Suhas; Ca, Sudeep; Kumar Pattnaik, Ashok; Jayaprakash, Venkatesan; Paoli, Paolo; Lavecchia, Antonio; Loiodice, Fulvio | |
| Impairment of Nucleolin Activity and Phosphorylation by a Trachylobane Diterpene from Psiadia punctulata in Cancer Cells | 1.1 Articolo in rivista | 2022 | Bellone, M. L.; Fiengo, L.; Cerchia, C.; Cotugno, R.; Bader, A.; Lavecchia, A.; De Tommasi, N.; Piaz, F. D. | |
| Easy access to α-ketoamides as SARS-CoV-2 and MERS Mpro inhibitors via the PADAM oxidation route | 1.1 Articolo in rivista | 2022 | Pelliccia, Sveva; Cerchia, Carmen; Esposito, Francesca; Cannalire, Rolando; Corona, Angela; Costanzi, Elisa; Kuzikov, Maria; Gribbon, Philip; Zaliani, Andrea; Brindisi, Margherita; Storici, Paola; Tramontano, Enzo; Summa, Vincenzo | |
| In Silico Identification of Novel Inhibitors Targeting the Homodimeric Interface of Superoxide Dismutase from the Dental Pathogen Streptococcus mutans | 1.1 Articolo in rivista | 2022 | Cerchia, Carmen; Roscetto, Emanuela; Nasso, Rosarita; Catania, Maria Rosaria; De Vendittis, Emmanuele; Lavecchia, Antonio; Masullo, Mariorosario; Rullo, Rosario | |
| A chemoinformatics search for peroxisome proliferator-activated receptors ligands revealed a new pan-agonist able to reduce lipid accumulation and improve insulin sensitivity | 1.1 Articolo in rivista | 2022 | Sblano, Sabina; Cerchia, Carmen; Laghezza, Antonio; Piemontese, Luca; Brunetti, Leonardo; Leuci, Rosalba; Gilardi, Federica; Thomas, Aurelien; Genovese, Massimo; Santi, Alice; Tortorella, Paolo; Paoli, Paolo; Lavecchia, Antonio; Loiodice, Fulvio | |
| “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool | 1.1 Articolo in rivista | 2021 | Manelfi, C.; Gemei, M.; Talarico, C.; Cerchia, C.; Fava, A.; Lunghini, F.; Beccari, A. R. | |
| A Series of Ferulic Acid Amides Reveals Unexpected Peroxiredoxin 1 Inhibitory Activity with in vivo Antidiabetic and Hypolipidemic Effects | 1.1 Articolo in rivista | 2021 | Yasmin, S.; Cerchia, C.; Badavath, V. N.; Laghezza, A.; Dal Piaz, F.; Mondal, S. K.; Atli, O.; Baysal, M.; Vadivelan, S.; Shankar, S.; Siddique, M. U. M.; Pattnaik, A. K.; Singh, R. P.; Loiodice, F.; Jayaprakash, V.; Lavecchia, A. | |
| Altered Local Interactions and Long-Range Communications in UK Variant (B.1.1.7) Spike Glycoprotein | 1.1 Articolo in rivista | 2021 | Borocci, Stefano; Cerchia, Carmen; Grottesi, Alessandro; Sanna, Nico; Prandi, Ingrid Guarnetti; Abid, Nabil; Beccari, Andrea R; Chillemi, Giovanni; Talarico, Carmine | |
| App maturation and intracellular localization are controlled by a specific inhibitor of 37/67 kda laminin-1 receptor in neuronal cells | 1.1 Articolo in rivista | 2020 | Bhattacharya, A.; Limone, A.; Napolitano, F.; Cerchia, C.; Parisi, S.; Minopoli, G.; Montuori, N.; Lavecchia, A.; Sarnataro, D. | |
| Antitumor agents 7. Synthesis, antiproliferative activity and molecular modeling of new L-lysine-conjugated pyridophenoxazinones as potent DNA-binding ligands and topoisomerase IIα inhibitors | 1.1 Articolo in rivista | 2020 | Pedatella, S.; Cerchia, C.; Manfra, M.; Cioce, A.; Bolognese, A.; Lavecchia, A. | |
| Sulfonimide and amide derivatives as novel PPARα antagonists: Synthesis, antiproliferative activity, and docking studies | 1.1 Articolo in rivista | 2020 | Ammazzalorso, A.; Bruno, I.; Florio, R.; de Lellis, L.; Laghezza, A.; Cerchia, C.; de Filippis, B.; Fantacuzzi, M.; Giampietro, L.; Maccallini, C.; Tortorella, P.; Veschi, S.; Loiodice, F.; Lavecchia, A.; Cama, A.; Amoroso, R. | |
| SARS-CoV-2 Entry Inhibitors: Small Molecules and Peptides Targeting Virus or Host Cells | 1.1 Articolo in rivista | 2020 | Cannalire, Rolando; Stefanelli, Irina; Cerchia, Carmen; R Beccari, Andrea; Pelliccia, Sveva; Summa, Vincenzo | |
| 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 | 1.1 Articolo in rivista | 2020 | Gemei, M.; Talarico, C.; Brandolini, L.; Manelfi, C.; Za, L.; Bovolenta, S.; Liberati, C.; Del Vecchio, L.; Russo, R.; Cerchia, C.; Allegretti, M.; Beccari, A. R. | |
| Computational studies of SARS-CoV-2 3clpro: Insights from md simulations | 1.1 Articolo in rivista | 2020 | Grottesi, A.; Besker, N.; Emerson, A.; Manelfi, C.; Beccari, A. R.; Frigerio, F.; Lindahl, E.; Cerchia, C.; Talarico, C. | |
| Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities | 1.1 Articolo in rivista | 2020 | Cannalire, Rolando; Cerchia, Carmen; Beccari, Andrea R; Di Leva, Francesco Saverio; Summa, Vincenzo |
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