Dr. Mariarosario Ferraro
Host Organization Sosei Heptares Therapeutics Limited, United Kingdom Computational Chemistry ALLODD Role Co-Supervisor for ESR10 |
Brief Bio I got my Master Degree in Chemistry and Pharmaceutical Technologies at the University of Bologna in 2012. During my PhD, I focused on modeling membrane proteins in native lipid rafts environments. I applied molecular dynamics and machine learning methods to identify potential allosteric sites or to explain and predict ligand efficacy. In 2016, after a period as a visiting student in the Ross Walker’s lab at the San Diego Supercomputer Center, I obtained my PhD in Drug Discovery at the University of Genoa and Italian Institute of Technology (IIT) under the supervision of Prof. Giovanni Bottegoni. In 2017, I joined the group of Prof. Giorgio Colombo as a post-doc researcher at ICRM-CNR in Milan, where I worked on anticancer compounds targeting allosteric sites in molecular chaperones. Since 2020, I’ve been a Research Scientist at Sosei Heptares in the computational chemistry group headed by Dr. Chris de Graaf, where I apply diversified computational strategies for rational design of ligands targeting G Protein-Coupled Receptors. Selected Publications Ferraro, M., Moroni, E., Ippoliti, E., Rinaldi, S., Sanchez-Martin, C., Rasola, A., Pavarino, L. F., Colombo G. Machine Learning of Allosteric Effects: The Analysis of Ligand-Induced Dynamics to Predict Functional Effects in TRAP1, J. Phys. Chem. B, (2021), 125, 1, 101–114. Ferraro, M., Sanchez-Martin, C., Moroni, E., Laquatra, C., Cannino, G., Masgras, I., Negro, A., Quadrelli, P., Rasola, A., Colombo, G. Rational Design of Allosteric and Selective Inhibitors of the molecular chaperone TRAP1.Cell Rep., (2020), 21, 31(3):107531. Ferraro, M., Decherchi, S., De Simone, A., Recanatini, M., Cavalli, A., Bottegoni, G. Multi-Target Dopamine D3 Receptor Modulators: Actionable Knowledge for Drug Design from Molecular Dynamics and Machine Learning. Eur. J. Med. Chem., (2020), 188, 111975. Ferraro, M., Hu, S., Thomas, A. P., Chung, J. M., Yoon, N.G., Seol, J. H., Kim, S., Kim, H., An, M. Y., Jung, H. S., Ryu, J., Colombo, G., Kang, B. H. J. Dual Binding to Orthosteric and Allosteric Sites Enhances the Anticancer Activity of a TRAP1-Targeting Drug J. Med. Chem., (2020), 63, 6, 2930–2940. Ferraro, M., D’annessa, I., Moroni, E., Morra, G., Paladino, A., Rinaldi, S., Compostella, F., Colombo, G. Allosteric Modulators of HSP90 and HSP70: Dynamics Meets Function through Structure-Based Drug Design, J. Med. Chem., (2018), 62(1):60-87. Ferraro, M., Masetti M., Recanatini, M. Cavalli, A. Bottegoni, G. Mapping Cholesterol Interaction Sites on Serotonin Transporter through Coarse-Grained Molecular Dynamics, PLoS ONE, (2016), 11(12): e0166196. Ferraro, M., Masetti, M., Recanatini, M., Cavalli, A., Bottegoni, G. Modeling Lipid Raft Domains Containing a Mono-Unsaturated Phosphatidylethanolamine species. RSC Adv., (2015), 5, 37102-37111. |
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This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 956314.
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