Stefano Moro

Scopus Author ID ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 66

Top Venues

International journal of molecular sciences

Molecules (Basel, Switzerland)

ChemMedChem

Pharmaceuticals (Basel, Switzerland)

Universita degli Studi di Padova

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universita degli Studi di Padova Dec 01 1998

Italy

Professor of Medicinal Chemistry :: Scienze del Farmaco

Publications

Davide Rigoni, Sachithra Yaddehige, Nicoletta Bianchi, Alessandro Sperduti, Stefano Moro, Cristian Taccioli
TumFlow: An AI Model for Predicting New Anticancer Molecules. International journal of molecular sciences 25 (11) (2024)
Davide Rigoni, Sachithra Yaddehige, Nicoletta Bianchi, Alessandro Sperduti, Stefano Moro, Cristian Taccioli
TumFlow: An AI Model for Predicting New Anticancer Molecules. International journal of molecular sciences 25 (11) (2024)
Davide Rigoni, Sachithra Yaddehige, Nicoletta Bianchi, Alessandro Sperduti, Stefano Moro, Cristian Taccioli
TumFlow: An AI Model for Predicting New Anticancer Molecules. International journal of molecular sciences 25 (11) (2024)
Sara Calenda, Daniela Catarzi, Flavia Varano, Erica Vigiani, Rosaria Volpini, Catia Lambertucci, Andrea Spinaci, Letizia Trevisan, Ilenia Grieco, Stephanie Federico, Giampiero Spalluto, Gianluca Novello, Veronica Salmaso, Stefano Moro, Vittoria Colotta
Structural Investigations on 2-Amidobenzimidazole Derivatives as New Inhibitors of Protein Kinase CK1 Delta. Pharmaceuticals (Basel, Switzerland) 17 (4) (2024)
Sara Calenda, Daniela Catarzi, Flavia Varano, Erica Vigiani, Rosaria Volpini, Catia Lambertucci, Andrea Spinaci, Letizia Trevisan, Ilenia Grieco, Stephanie Federico, Giampiero Spalluto, Gianluca Novello, Veronica Salmaso, Stefano Moro, Vittoria Colotta
Structural Investigations on 2-Amidobenzimidazole Derivatives as New Inhibitors of Protein Kinase CK1 Delta. Pharmaceuticals (Basel, Switzerland) 17 (4) (2024)
Daniela Carbone, Michele De Franco, Camilla Pecoraro, Davide Bassani, Matteo Pavan, Stella Cascioferro, Barbara Parrino, Girolamo Cirrincione, Abdolmajid Fata, Stefano Moro, Valentina Gandin, Patrizia Diana
Discovery of the 3-Amino-1,2,4-triazine-Based Library as Selective PDK1 Inhibitors with Therapeutic Potential in Highly Aggressive Pancreatic Ductal Adenocarcinoma. International journal of molecular sciences 24 (4) (2023)
Matteo Pavan, Stefano Moro
Lessons Learnt from COVID-19: Computational Strategies for Facing Present and Future Pandemics. International journal of molecular sciences 24 (5) (2023)
Andrea Dodaro, Matteo Pavan, Stefano Moro
Targeting the I7L Protease: A Rational Design for Anti-Monkeypox Drugs? International journal of molecular sciences 24 (8) (2023)
Teresa Gianferrara, Matteo Pavan, Davide Bassani, Fabrizio Vincenzi, Silvia Pasquini, Giovanni Bolcato, Katia Varani, Giampiero Spalluto, Stephanie Federico, Stefano Moro
Are Two Riboses Better Than One? The Case of the Recognition and Activation of Adenosine Receptors. ChemMedChem (2023)
Silvia Menin, Matteo Pavan, Veronica Salmaso, Mattia Sturlese, Stefano Moro
Thermal Titration Molecular Dynamics (TTMD): Not Your Usual Post-Docking Refinement. International journal of molecular sciences 24 (4) (2023)
Daniela Carbone, Michele De Franco, Camilla Pecoraro, Davide Bassani, Matteo Pavan, Stella Cascioferro, Barbara Parrino, Girolamo Cirrincione, Abdolmajid Fata, Stefano Moro, Valentina Gandin, Patrizia Diana
Discovery of the 3-Amino-1,2,4-triazine-Based Library as Selective PDK1 Inhibitors with Therapeutic Potential in Highly Aggressive Pancreatic Ductal Adenocarcinoma. International journal of molecular sciences 24 (4) (2023)
Francesco Costacurta, Andrea Dodaro, David Bante, Helge Schoeppe, Bernhard Sprenger, Seyed Arad Moghadasi, Jakob Fleischmann, Matteo Pavan, Davide Bassani, Silvia Menin, Stefanie Rauch, Laura Krismer, Anna Sauerwein, Anne Heberle, Toni Rabensteiner, Joses Wei Hao Ho, Reuben Stewart Harris, Eduard Stefan, Rainer Schneider, Teresa Kaserer, Stefano Moro, Dorothee von Laer, Emmanuel Heilmann
A comprehensive study of SARS-CoV-2 main protease (M pro ) inhibitor-resistant mutants selected in a VSV-based system. bioRxiv : the preprint server for biology (2023)
Annagiulia Favaro, Giovanni Bolcato, Marcelo Alberto Comini, Stefano Moro, Massimo Bellanda, Mattia Sturlese
Drugging the Undruggable Trypanosoma brucei Monothiol Glutaredoxin 1. Molecules (Basel, Switzerland) 28 (3) (2023)
Silvia Menin, Matteo Pavan, Veronica Salmaso, Mattia Sturlese, Stefano Moro
Thermal Titration Molecular Dynamics (TTMD): Not Your Usual Post-Docking Refinement. International journal of molecular sciences 24 (4) (2023)
Silvia Menin, Matteo Pavan, Veronica Salmaso, Mattia Sturlese, Stefano Moro
Thermal Titration Molecular Dynamics (TTMD): Not Your Usual Post-Docking Refinement. International journal of molecular sciences 24 (4) (2023)
Daniela Carbone, Michele De Franco, Camilla Pecoraro, Davide Bassani, Matteo Pavan, Stella Cascioferro, Barbara Parrino, Girolamo Cirrincione, Abdolmajid Fata, Stefano Moro, Valentina Gandin, Patrizia Diana
Discovery of the 3-Amino-1,2,4-triazine-Based Library as Selective PDK1 Inhibitors with Therapeutic Potential in Highly Aggressive Pancreatic Ductal Adenocarcinoma. International journal of molecular sciences 24 (4) (2023)
Daniela Carbone, Michele De Franco, Camilla Pecoraro, Davide Bassani, Matteo Pavan, Stella Cascioferro, Barbara Parrino, Girolamo Cirrincione, Abdolmajid Fata, Stefano Moro, Valentina Gandin, Patrizia Diana
Discovery of the 3-Amino-1,2,4-triazine-Based Library as Selective PDK1 Inhibitors with Therapeutic Potential in Highly Aggressive Pancreatic Ductal Adenocarcinoma. International journal of molecular sciences 24 (4) (2023)
Matteo Pavan, Stefano Moro
Lessons Learnt from COVID-19: Computational Strategies for Facing Present and Future Pandemics. International journal of molecular sciences 24 (5) (2023)
Andrea Dodaro, Matteo Pavan, Stefano Moro
Targeting the I7L Protease: A Rational Design for Anti-Monkeypox Drugs? International journal of molecular sciences 24 (8) (2023)
Andrea Spinaci, Michela Buccioni, Daniela Catarzi, Chang Cui, Vittoria Colotta, Diego Dal Ben, Eleonora Cescon, Beatrice Francucci, Ilenia Grieco, Catia Lambertucci, Gabriella Marucci, Davide Bassani, Matteo Pavan, Flavia Varano, Stephanie Federico, Giampiero Spalluto, Stefano Moro, Rosaria Volpini
"Dual Anta-Inhibitors" of the A 2A Adenosine Receptor and Casein Kinase CK1delta: Synthesis, Biological Evaluation, and Molecular Modeling Studies. Pharmaceuticals (Basel, Switzerland) 16 (2) (2023)
Deborah Palazzotti, Tommaso Felicetti, Stefano Sabatini, Stefano Moro, Maria Letizia Barreca, Mattia Sturlese, Andrea Astolfi
Fighting Antimicrobial Resistance: Insights on How the Staphylococcus aureus NorA Efflux Pump Recognizes 2-Phenylquinoline Inhibitors by Supervised Molecular Dynamics (SuMD) and Molecular Docking Simulations. Journal of chemical information and modeling (2023)
Davide Bassani, Stefano Moro
Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies. Molecules (Basel, Switzerland) 28 (9) (2023)
Annagiulia Favaro, Giovanni Bolcato, Marcelo Alberto Comini, Stefano Moro, Massimo Bellanda, Mattia Sturlese
Drugging the Undruggable Trypanosoma brucei Monothiol Glutaredoxin 1. Molecules (Basel, Switzerland) 28 (3) (2023)
Davide Bassani, Stefano Moro
Correction: Bassani, D.; Moro, S. Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies. Molecules 2023, 28 , 3906. Molecules (Basel, Switzerland) 28 (13) (2023)
Davide Bassani, Stefano Moro
Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies. Molecules (Basel, Switzerland) 28 (9) (2023)
Silvia Menin, Matteo Pavan, Veronica Salmaso, Mattia Sturlese, Stefano Moro
Thermal Titration Molecular Dynamics (TTMD): Not Your Usual Post-Docking Refinement. International journal of molecular sciences 24 (4) (2023)
Annagiulia Favaro, Giovanni Bolcato, Marcelo Alberto Comini, Stefano Moro, Massimo Bellanda, Mattia Sturlese
Drugging the Undruggable Trypanosoma brucei Monothiol Glutaredoxin 1. Molecules (Basel, Switzerland) 28 (3) (2023)
Maria Chiara Scaini, Luisa Piccin, Davide Bassani, Antonio Scapinello, Stefania Pellegrini, Cristina Poggiana, Cristina Catoni, Debora Tonello, Jacopo Pigozzo, Luigi Dall'Olmo, Antonio Rosato, Stefano Moro, Vanna Chiarion Sileni, Chiara Menin
Molecular Modeling Unveils the Effective Interaction of B-RAF Inhibitors with Rare B-RAF Insertion Variants. International journal of molecular sciences 24 (15) (2023)
Silvia Menin, Matteo Pavan, Veronica Salmaso, Mattia Sturlese, Stefano Moro
Thermal Titration Molecular Dynamics (TTMD): Not Your Usual Post-Docking Refinement. International journal of molecular sciences 24 (4) (2023)
Andrea Dodaro, Matteo Pavan, Stefano Moro
Targeting the I7L Protease: A Rational Design for Anti-Monkeypox Drugs? International journal of molecular sciences 24 (8) (2023)
Veronica Salmaso, Margherita Persico, Tatiana Da Ros, Giampiero Spalluto, Sonja Kachler, Karl-Norbert Klotz, Stefano Moro, Stephanie Federico
Pyrazolo-triazolo-pyrimidine Scaffold as a Molecular Passepartout for the Pan-Recognition of Human Adenosine Receptors. Biomolecules 13 (11) (2023)
Daniela Carbone, Michele De Franco, Camilla Pecoraro, Davide Bassani, Matteo Pavan, Stella Cascioferro, Barbara Parrino, Girolamo Cirrincione, Abdolmajid Fata, Stefania Sut, Stefano Moro, Valentina Gandin, Patrizia Diana
Structural Manipulations of Marine Natural Products Inspire a New Library of 3-Amino-1,2,4-Triazine PDK Inhibitors Endowed with Antitumor Activity in Pancreatic Ductal Adenocarcinoma. Marine drugs 21 (5) (2023)
Matteo Pavan, Stefano Moro
Lessons Learnt from COVID-19: Computational Strategies for Facing Present and Future Pandemics. International journal of molecular sciences 24 (5) (2023)
Anna Piovan, Raffaella Filippini, Carla Argentini, Stefano Moro, Pietro Giusti, Morena Zusso
The Effect of C-Phycocyanin on Microglia Activation Is Mediated by Toll-like Receptor 4. International journal of molecular sciences 23 (3) (2022)
Matteo Pavan, Davide Bassani, Mattia Sturlese, Stefano Moro
Bat coronaviruses related to SARS-CoV-2: what about their 3CL proteases (MPro)? Journal of enzyme inhibition and medicinal chemistry 37 (1) (2022)
Matteo Pavan, Silvia Menin, Davide Bassani, Mattia Sturlese, Stefano Moro
Qualitative Estimation of Protein-Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations. Journal of chemical information and modeling 62 (22) (2022)
Giovanni Bolcato, Matteo Pavan, Davide Bassani, Mattia Sturlese, Stefano Moro
Ribose and Non-Ribose A2A Adenosine Receptor Agonists: Do They Share the Same Receptor Recognition Mechanism? Biomedicines 10 (2) (2022)
Claudia Albertini, Alessandra Salerno, Silvia Atzeni, Elisa Uliassi, Francesca Massenzio, Annalisa Maruca, Roberta Rocca, Marko Mecava, Filomena S G Silva, Débora Mena, Pedro Valente, Ana I Duarte, Daniel Chavarria, Maicol Bissaro, Stefano Moro, Stephanie Federico, Giampiero Spalluto, Ondrej Soukup, Fernanda Borges, Stefano Alcaro, Barbara Monti, Paulo J Oliveira, José Carlos Menéndez, Maria Laura Bolognesi
Riluzole-Rasagiline Hybrids: Toward the Development of Multi-Target-Directed Ligands for Amyotrophic Lateral Sclerosis. ACS chemical neuroscience 13 (15) (2022)
Davide Bassani, Matteo Pavan, Mattia Sturlese, Stefano Moro
Sodium or Not Sodium: Should Its Presence Affect the Accuracy of Pose Prediction in Docking GPCR Antagonists? Pharmaceuticals (Basel, Switzerland) 15 (3) (2022)
Matteo Pavan, Davide Bassani, Mattia Sturlese, Stefano Moro
Investigating RNA-protein recognition mechanisms through supervised molecular dynamics (SuMD) simulations. NAR genomics and bioinformatics 4 (4) (2022)
Léa El Khoury, Zhifeng F Jing, Alberto Cuzzolin, Alessandro Deplano, Daniele Loco, Boris Sattarov, Florent Hédin, Sebastian Wendeborn, Chris Ho, Dina El Ahdab, Theo Jaffrelot Inizan, Mattia Sturlese, Alice Sosic, Martina Volpiana, Angela Lugato, Marco Barone, Barbara Gatto, Maria Ludovica Macchia, Massimo Bellanda, Roberto Battistutta, Cristiano Salata, Ivan Kondratov, Rustam Iminov, Andrii Khairulin, Yaroslav Mykhalonok, Anton Pochepko, Volodymyr Chashka-Ratushnyi, Iaroslava Kos, Stefano Moro, Matthieu Montes, Pengyu Ren, Jay W Ponder, Louis Lagardère, Jean-Philip Piquemal, Davide Sabbadin
Computationally driven discovery of SARS-CoV-2 M pro inhibitors: from design to experimental validation. Chemical science 13 (13) (2022)
Giulia Poletto, Laura Evangelista, Francesca Venturini, Fabiana Gramegna, Flavio Seno, Stefano Moro, Roberto Vettor, Nicola Realdon, Diego Cecchin
Nanoparticles and Radioisotopes: A Long Story in a Nutshell. Pharmaceutics 14 (10) (2022)
Matteo Pavan, Davide Bassani, Mattia Sturlese, Stefano Moro
From the Wuhan-Hu-1 strain to the XD and XE variants: is targeting the SARS-CoV-2 spike protein still a pharmaceutically relevant option against COVID-19? Journal of enzyme inhibition and medicinal chemistry 37 (1) (2022)
Davide Bassani, Matteo Pavan, Stephanie Federico, Giampiero Spalluto, Mattia Sturlese, Stefano Moro
The Multifaceted Role of GPCRs in Amyotrophic Lateral Sclerosis: A New Therapeutic Perspective? International journal of molecular sciences 23 (9) (2022)
Davide Bassani, Matteo Pavan, Giovanni Bolcato, Mattia Sturlese, Stefano Moro
Re-Exploring the Ability of Common Docking Programs to Correctly Reproduce the Binding Modes of Non-Covalent Inhibitors of SARS-CoV-2 Protease M pro . Pharmaceuticals (Basel, Switzerland) 15 (2) (2022)
Emmanuel Heilmann, Francesco Costacurta, Seyed Arad Moghadasi, Chengjin Ye, Matteo Pavan, Davide Bassani, André Volland, Claudia Ascher, Alexander Kurt Hermann Weiss, David Bante, Reuben Stewart Harris, Stefano Moro, Bernhard Rupp, Luis Martinez-Sobrido, Dorothee von Laer
SARS-CoV-2 3CL pro mutations selected in a VSV-based system confer resistance to nirmatrelvir, ensitrelvir, and GC376. Science translational medicine (2022)
Giovanni Bolcato, Eleonora Cescon, Matteo Pavan, Maicol Bissaro, Davide Bassani, Stephanie Federico, Giampiero Spalluto, Mattia Sturlese, Stefano Moro
A Computational Workflow for the Identification of Novel Fragments Acting as Inhibitors of the Activity of Protein Kinase CK1δ. International journal of molecular sciences 22 (18) (2021)
Maicol Bissaro, Giovanni Bolcato, Matteo Pavan, Davide Bassani, Mattia Sturlese, Stefano Moro
Inspecting the Mechanism of Fragment Hits Binding on SARS-CoV-2 Mpro by Using Supervised Molecular Dynamics (SuMD) Simulations. ChemMedChem 16 (13) (2021)
Matteo Pavan, Giovanni Bolcato, Davide Bassani, Mattia Sturlese, Stefano Moro
Supervised Molecular Dynamics (SuMD) Insights into the mechanism of action of SARS-CoV-2 main protease inhibitor PF-07321332. Journal of enzyme inhibition and medicinal chemistry 36 (1) (2021)
José Jiménez-Luna, Alberto Cuzzolin, Giovanni Bolcato, Mattia Sturlese, Stefano Moro
A Deep-Learning Approach toward Rational Molecular Docking Protocol Selection. Molecules (Basel, Switzerland) 25 (11) (2020)
Stephanie Federico, Enrico Margiotta, Stefano Moro, Sonja Kachler, Karl-Norbert Klotz, Giampiero Spalluto
Potent and selective A3 adenosine receptor antagonists bearing aminoesters as heterobifunctional moieties. RSC medicinal chemistry 12 (2) (2020)
Giuseppe Deganutti, Stefano Moro, Christopher A Reynolds
A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding. Journal of chemical information and modeling 60 (3) (2020)
Enrico Margiotta, Stephanie C C van der Lubbe, Lucas de Azevedo Santos, Gabor Paragi, Stefano Moro, Friedrich Matthias Bickelhaupt, Célia Fonseca Guerra
Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design. Journal of chemical information and modeling 60 (3) (2020)
Giovanni Bolcato, Maicol Bissaro, Mattia Sturlese, Stefano Moro
Comparing Fragment Binding Poses Prediction Using HSP90 as a Key Study: When Bound Water Makes the Difference. Molecules (Basel, Switzerland) 25 (20) (2020)
Deborah Palazzotti, Maicol Bissaro, Giovanni Bolcato, Andrea Astolfi, Tommaso Felicetti, Stefano Sabatini, Mattia Sturlese, Violetta Cecchetti, Maria Letizia Barreca, Stefano Moro
Deciphering the Molecular Recognition Mechanism of Multidrug Resistance Staphylococcus aureus NorA Efflux Pump Using a Supervised Molecular Dynamics Approach. International journal of molecular sciences 20 (16) (2019)
Giovanni Bolcato, Alberto Cuzzolin, Maicol Bissaro, Stefano Moro, Mattia Sturlese
Can We Still Trust Docking Results? An Extension of the Applicability of DockBench on PDBbind Database. International journal of molecular sciences 20 (14) (2019)
Maicol Bissaro, Giovanni Bolcato, Giuseppe Deganutti, Mattia Sturlese, Stefano Moro
Revisiting the Allosteric Regulation of Sodium Cation on the Binding of Adenosine at the Human A2A Adenosine Receptor: Insights from Supervised Molecular Dynamics (SuMD) Simulations. Molecules (Basel, Switzerland) 24 (15) (2019)
Stephanie Federico, Enrico Margiotta, Silvia Paoletta, Sonja Kachler, Karl-Norbert Klotz, Kenneth A Jacobson, Giorgia Pastorin, Stefano Moro, Giampiero Spalluto
Pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines to develop functionalized ligands to target adenosine receptors: fluorescent ligands as an example. MedChemComm 10 (7) (2019)
Enrico Margiotta, Giuseppe Deganutti, Stefano Moro
Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A2A adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench. Journal of computer-aided molecular design 32 (12) (2018)
Giuseppe Deganutti, Veronica Salmaso, Stefano Moro
Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1? Molecular informatics 37 (8) (2018)
Amit N Pandya, Arshi B Baraiya, Hitesh B Jalani, Dhaivat Pandya, Jitendra C Kaila, Sonja Kachler, Veronica Salmaso, Stefano Moro, Karl-Norbert Klotz, Kamala K Vasu
Discovery of 2-aminoimidazole and 2-amino imidazolyl-thiazoles as non-xanthine human adenosine A3 receptor antagonists: SAR and molecular modeling studies. MedChemComm 9 (4) (2018)
Alberto Cuzzolin, Giuseppe Deganutti, Veronica Salmaso, Mattia Sturlese, Stefano Moro
AquaMMapS: An Alternative Tool to Monitor the Role of Water Molecules During Protein-Ligand Association. ChemMedChem 13 (6) (2018)
Maicol Bissaro, Stephanie Federico, Veronica Salmaso, Mattia Sturlese, Giampiero Spalluto, Stefano Moro
Targeting Protein Kinase CK1δ with Riluzole: Could It Be One of the Possible Missing Bricks to Interpret Its Effect in the Treatment of ALS from a Molecular Point of View? ChemMedChem 13 (24) (2018)
Veronica Salmaso, Mattia Sturlese, Alberto Cuzzolin, Stefano Moro
Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2. Journal of computer-aided molecular design 32 (1) (2017)
Giuseppe Deganutti, Ajith Welihinda, Stefano Moro
Comparison of the Human A2A Adenosine Receptor Recognition by Adenosine and Inosine: New Insight from Supervised Molecular Dynamics Simulations. ChemMedChem 12 (16) (2017)
Veronica Salmaso, Mattia Sturlese, Alberto Cuzzolin, Stefano Moro
DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015. Journal of computer-aided molecular design 30 (9) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Stefano Moro