| L718Q mutant EGFR escapes covalent inhibition by stabilizing a non-reactive conformation of the lung cancer drug osimertinib D Callegari, KE Ranaghan, CJ Woods, R Minari, M Tiseo, M Mor, ... Chemical Science 9 (10), 2740-2749, 2018 | 78 | 2018 |
| Metadynamics simulations distinguish short-and long-residence-time inhibitors of cyclin-dependent kinase 8 D Callegari, A Lodola, D Pala, S Rivara, M Mor, A Rizzi, AM Capelli Journal of chemical information and modeling 57 (2), 159-169, 2017 | 66 | 2017 |
| Δ5-Cholenoyl-amino acids as selective and orally available antagonists of the Eph–ephrin system R Castelli, M Tognolini, F Vacondio, M Incerti, D Pala, D Callegari, ... European journal of medicinal chemistry 103, 312-324, 2015 | 43 | 2015 |
| The ellagitannin colonic metabolite urolithin D selectively inhibits EphA2 phosphorylation in prostate cancer cells C Giorgio, P Mena, D Del Rio, F Brighenti, E Barocelli, ... Molecular nutrition & food research 59 (11), 2155-2167, 2015 | 41 | 2015 |
| Metadynamics for perspective drug design: computationally driven synthesis of new protein–protein interaction inhibitors targeting the EphA2 receptor M Incerti, S Russo, D Callegari, D Pala, C Giorgio, I Zanotti, E Barocelli, ... Journal of Medicinal Chemistry 60 (2), 787-796, 2017 | 35 | 2017 |
| Pharmacological evaluation of new bioavailable small molecules targeting Eph/ephrin interaction C Giorgio, M Incerti, M Corrado, M Rusnati, P Chiodelli, S Russo, ... Biochemical pharmacology 147, 21-29, 2018 | 23 | 2018 |
| Exploiting Free‐Energy Minima to Design Novel EphA2 Protein–Protein Antagonists: From Simulation to Experiment and Return S Russo, D Callegari, M Incerti, D Pala, C Giorgio, J Brunetti, L Bracci, ... Chemistry–A European Journal 22 (24), 8048-8052, 2016 | 18 | 2016 |
| Balancing reactivity and antitumor activity: heteroarylthioacetamide derivatives as potent and time-dependent inhibitors of EGFR R Castelli, N Bozza, A Cavazzoni, M Bonelli, F Vacondio, F Ferlenghi, ... European journal of medicinal chemistry 162, 507-524, 2019 | 16 | 2019 |
| Design and SAR analysis of covalent inhibitors driven by hybrid QM/MM simulations A Lodola, D Callegari, L Scalvini, S Rivara, M Mor Quantum Mechanics in Drug Discovery, 307-337, 2020 | 14 | 2020 |
| N-Acylethanolamine Acid Amidase (NAAA): Mechanism of Palmitoylethanolamide Hydrolysis Revealed by Mechanistic Simulations L Scalvini, A Ghidini, A Lodola, D Callegari, S Rivara, D Piomelli, M Mor ACS Catalysis 10 (20), 11797-11813, 2020 | 13 | 2020 |
| Optimization of EphA2 antagonists based on a lithocholic acid core led to the identification of UniPR505, a new 3α-carbamoyloxy derivative with antiangiogenetic properties M Incerti, S Russo, M Corrado, C Giorgio, V Ballabeni, P Chiodelli, ... European Journal of Medicinal Chemistry 189, 112083, 2020 | 6 | 2020 |
| Comparative analysis of virtual screening approaches in the search for novel EphA2 receptor antagonists D Callegari, D Pala, L Scalvini, M Tognolini, M Incerti, S Rivara, M Mor, ... Molecules 20 (9), 17132-17151, 2015 | 5 | 2015 |
| Molecular modelling studies on PEA hydrolysis by the enzyme N-acylethanolamine acid amidase. L Scalvini, A Ghidini, A Lodola, D Callegari, S Rivara, D Piomelli, M Mor MDPI, 2021 | | 2021 |
| Application of enhanced sampling methods in drug design D Callegari Università di Parma. Dipartimento di Scienze degli Alimenti e del Farmaco, 2018 | | 2018 |
| Discovery and development of small molecules targeting Eph-ephrin system in glioblastoma: an academic history M Tognolini, F Claudio, G Gianluca, R Castelli, M Incerti, F Vacondio, ... The 76th annual meeting of the Japanese cancer association, 2017 | | 2017 |
| Eph-ephrin antagonism in tumor angiogenesis and growth: UniPR1331 preclinical evidence. C Giorgio, C Festuccia, GL Gravina, R Castelli, M Rusnati, P Chiodelli, ... Eph-ephrin antagonism in tumor angiogenesis and growth: UniPR1331 …, 2017 | | 2017 |
| Development of an orally bioavailable small molecule targeting Eph-ephrin system: in vitro and in vivo anticancer activity. M Tognolini, C Giorgio, C Festuccia, M Rusnati, P Chiodelli, M Incerti, ... Pharmacology 2015, 2015 | | 2015 |
| Multiple approaches for the discovery and development of small molecules targeting Eph-ephrin protein-protein interaction M Tognolini, C Giorgio, M Incerti, R Castelli, C Festuccia, M Rusnati, ... 37° congresso nazionale della società italiana di farmacologia, 2015 | | 2015 |