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Dr. Mariarosario Ferraro

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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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  • Home
    • ALLODD Overview
    • Governing Bodies
  • People
    • Beneficiaries
    • Partner Organisations
    • Supervisors
    • Early Stage Researchers
  • Research
    • Work Packages
    • Individual Research Projects
  • Training
    • Training Events >
      • 1st Workshop and PhD Induction Course
      • 1st Training School & Networking Meeting
      • Allostery in Drug Discovery Awareness Event and Symposium
      • 2nd Training School & Networking Meeting
      • IPR Training for Researchers & ESR Presentations on the Progress of their Research
      • 3rd Training School & Networking Meeting
      • European Conference in Allostery in Drug Discovery >
        • Abstract submission
        • Registration
      • Final Networking Meeting
    • Secondments
    • ALLODD Webinars
    • Courses & Lectures
    • Journal Club
  • Dissemination
    • Publications
    • Dissemination Events
    • Science Slams
    • Communication Material
    • Social Media
    • Newsletter
  • Events
    • ALLODD Events
    • Satellite Events
  • Newsroom
    • Press releases
  • Job Openings
  • Blog
  • Contact