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Your search keyword '"Ballarotto, Marco"' showing total 14 results
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14 results on '"Ballarotto, Marco"'

1. Novel multitarget directed ligands inspired by riluzole: A serendipitous synthesis of substituted benzo[b][1,4]thiazepines potentially useful as neuroprotective agents

Author

Maramai, Samuele, Saletti, Mario, Paolino, Marco, Giuliani, Germano, Cazzola, Jessica, Spaiardi, Paolo, Talpo, Francesca, Frosini, Maria, Pifferi, Alice, Ballarotto, Marco, Carotti, Andrea, Poggialini, Federica, Vagaggini, Chiara, Dreassi, Elena, Giorgi, Gianluca, Dondio, Giulio, Cappelli, Andrea, Rosario Biella, Gerardo, and Anzini, Maurizio

Published
2024
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5. PO-04-109 OUTCOMES OF RADIOFREQUENCY CATHETER ABLATION OF DISTINCT ANTERO-SEPTAL ACCESSORY PATHWAYS BY CONVENTIONAL ELECTROPHYSIOLOGICAL MAPPING

Author

Pappone, Carlo, primary, Boccellino, Antonio, additional, Negro, Gabriele, additional, Rondine, Roberto, additional, Giannelli, Luigi, additional, mecarocci, valerio, additional, Calovic, Zarko, additional, Cappabianca, Andrea, additional, Maiolo, Vincenzo, additional, Napolano, Antonio, additional, Sabatelli, Ludovico, additional, ballarotto, marco, additional, Vicedomini, Gabriele, additional, Santinelli, Vincenzo, additional, and Ciconte, Giuseppe, additional

Published
2023
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6. AB-452673-1 LONG-TERM CLINICAL OUTCOME FOLLOWING EPICARDIAL RADIOFREQUENCY ABLATION OF THE ARRHYTHMOGENIC SUBSTRATE FOR THE TREATMENT OF SYMPTOMATIC BRUGADA SYNDROME

Author

Ciconte, Giuseppe, primary, Boccellino, Antonio, additional, Negro, Gabriele, additional, Rondine, Roberto, additional, maiolo, vincenzo, additional, ballarotto, marco, additional, Napolano, Antonio, additional, mecarocci, valerio, additional, Giannelli, Luigi, additional, cappabianca, andrea, additional, Vicedomini, Gabriele, additional, Anastasia, Luigi, additional, Calovic, Zarko, additional, Santinelli, Vincenzo, additional, and Pappone, Carlo, additional

Published
2023
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7. De Novo Design of Nurr1 Agonists via Fragment-Augmented Generative Deep Learning in Low-Data Regime

Author

Ballarotto, Marco, Willems, Sabine, Stiller, Tanja, Nawa, Felix, Marschner, Julian A., Grisoni, Francesca, Merk, Daniel, Ballarotto, Marco, Willems, Sabine, Stiller, Tanja, Nawa, Felix, Marschner, Julian A., Grisoni, Francesca, and Merk, Daniel

Abstract

Generative neural networks trained on SMILES can design innovative bioactive molecules de novo. These so-called chemical language models (CLMs) have typically been trained on tens of template molecules for fine-tuning. However, it is challenging to apply CLM to orphan targets with few known ligands. We have fine-tuned a CLM with a single potent Nurr1 agonist as template in a fragment-augmented fashion and obtained novel Nurr1 agonists using sampling frequency for design prioritization. Nanomolar potency and binding affinity of the top-ranking design and its structural novelty compared to available Nurr1 ligands highlight its value as an early chemical tool and as a lead for Nurr1 agonist development, as well as the applicability of CLM in very low-data scenarios.

Published
2023

8. Multicomponent and Metal‐Free Diels–Alder/Aromatization Approach to the Stereospecific Synthesis of E‐(Hetero)Stilbenes and Diarylacetylenes.

Author

Ballarotto, Marco, Cerra, Bruno, and Temperini, Andrea

Subjects
*MATERIALS science, *ETHYL acetate, *DIELS-Alder reaction, *PHARMACEUTICAL chemistry, *CHEMOSELECTIVITY, *SUSTAINABLE chemistry, *STILBENE derivatives, *STILBENE
Abstract

Herein, we present a novel and metal‐free approach to the stereospecific synthesis of E‐stilbenes. Starting from substituted 6‐arylhexa‐3,5‐dien‐2‐ones, a multicomponent enolacetylation/intermolecular Diels–Alder reaction was performed using ethyl acetate as a green solvent. The obtained cycloadducts were then oxidized without purification to produce the stilbenic products in good yields up to 67 % and with complete (E)‐stereospecificity and regioselectivity. Moreover, heterostilbenes were synthetized using this approach, displaying the potential applications of this protocol in pharmaceutical and material sciences. The proposed methodology was further extended to the synthesis of diarylacetylenes, furnishing a new metal‐free synthetic access to this important class of compounds. Furthermore, DFT calculations were performed confirming a concerted [4+2] reaction mechanism of the key ring‐forming step. At last, the energetic analysis of the possible transition states helps to shed some light on the experimentally observed total regio‐ and chemoselectivity. [ABSTRACT FROM AUTHOR]

Published
2023
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9. 1013 RADIOFREQUENCY CATHETER ABLATION OF IDIOPATHIC VENTRICULAR FIBRILLATION: A CURRENT SINGLE-CENTRE EXPERIENCE

Author

Boccellino, Antonio, primary, Napolano, Antonio, additional, Negro, Gabriele, additional, Giannelli, Luigi, additional, Calovic, Zarko, additional, Vicedomini, Gabriele, additional, Rondine, Roberto, additional, Ballarotto, Marco, additional, Maiolo, Vincenzo, additional, Sabatelli, Ludovico, additional, Ciconte, Giuseppe, additional, and Pappone, Carlo, additional

Published
2022
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11. Biological Evaluation of New Thienopyridinium and Thienopyrimidinium Derivatives as Human Choline Kinase Inhibitors

Author

Luque-Navarro, Pilar María, primary, Mariotto, Elena, additional, Ballarotto, Marco, additional, Rubbini, Gianluca, additional, Aguilar-Troyano, Francisco José, additional, Fasiolo, Alberto, additional, Torretta, Archimede, additional, Parisini, Emilio, additional, Macchiarulo, Antonio, additional, Laso, Alejandro, additional, Marco, Carmen, additional, Viola, Giampietro, additional, Carrasco-Jimenez, María Paz, additional, and López-Cara, Luisa Carlota, additional

Published
2022
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13. De NovoDesign of Nurr1 Agonists viaFragment-Augmented Generative Deep Learning in Low-Data Regime

Author

Ballarotto, Marco, Willems, Sabine, Stiller, Tanja, Nawa, Felix, Marschner, Julian A., Grisoni, Francesca, and Merk, Daniel

Abstract

Generative neural networks trained on SMILES can design innovative bioactive molecules de novo. These so-called chemical language models (CLMs) have typically been trained on tens of template molecules for fine-tuning. However, it is challenging to apply CLM to orphan targets with few known ligands. We have fine-tuned a CLM with a single potent Nurr1 agonist as template in a fragment-augmented fashion and obtained novel Nurr1 agonists using sampling frequency for design prioritization. Nanomolar potency and binding affinity of the top-ranking design and its structural novelty compared to available Nurr1 ligands highlight its value as an early chemical tool and as a lead for Nurr1 agonist development, as well as the applicability of CLM in very low-data scenarios.

Published
2023
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14. A straightforward synthesis of functionalized 6 H -benzo[ c ]chromenes from 3-alkenyl chromenes by intermolecular Diels-Alder/aromatization sequence.

Author

Ballarotto M, Solinas M, and Temperini A

Abstract

A new and metal-free approach to the synthesis of substituted 6 H -benzo[ c ]chromenes has been developed. This three-step synthetic sequence starts from variously substituted salicylaldehydes and α,β-unsaturated carbonyl compounds to form the chromene core. The de novo ring-forming key step is based on a highly regioselective intermolecular Diels-Alder cycloaddition between 3-vinyl-2 H -chromenes and methyl propiolate, followed by oxidative aromatization of the cyclohexadiene cycloadduct intermediate to obtain the final products in good yields (up to 94% over two steps). A modular and divergent design was followed, including a multicomponent reaction, to maximize the scaffold diversity obtained from our approach. The mechanism, investigated by DFT calculations, was confirmed to be concerted through a slightly asynchronous transition state. Energetic analysis of the transition states which have been found confirmed the experimental results in terms of regioselectivity and reactivity tendencies.

Published
2021
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