Supramolecular recognition between proteins and nanoparticles is highly significant to the development of platforms for therapeutics delivery and sensors. Our aim is to develop an nanoformulation platform based on products for advanced and precision medicine in the therapeutic, diagnostic and prevention fields. Objectives are to develop biospecific multifunctional nanoparticles for medical applications against neurodegenerative disease and cancers (oncotherapies, drugs and drug delivery systems, imaging contrast agents, systems for in vitro diagnostics, medical devices).
In recent studies we have provided a framework for the implementation of versatile particle-protein complexes under high salt conditions for biosensing applications.
Theoretical modeling allow to achieve a deep understanding of the protein-AuNP binding mechanism at an atomistic level, suggesting a rational approach to modify effectively the experimental protocols of nanoparticles formulations.
| People | Margherita Bini, Giorgia Brancolini*, Stefano Corni, ValentinaTozzini |
| Keywords | Functionalized metal nanoparticles; Multiscale Simulations; Nanomedicine; Biosensors |
| Methods, techniques | Enhanced Molecular Dynamics; Force Field Developments; Brownian Dynamics, Coarse Grained Models |
| Granted projects | |
| 2016-2021: ERC: TAME-Plasmons – Theoretical chemistry Approach to tIME-resolved molecular Plasmonics”. Coord. S. Corni | |
| Supercomputing Projects 2019: HPC-Europa3 Transnational Access Program (Ref. HPC177BQ0O) at Prof. C. Holm ICP, Stuttgart, DE PI G. Brancolini 2018: Partner Proposal “Coarse Grained and Multi-scale modeling of bio-functionalized nanoparticles” at ORNL, USA. CNMS2018-338. PI G. Brancolini | |
| 2016-2018: PI of SEED CNR national project (GAE PUSEED04): TITOLO “LOPE-DeveLopment of a Coarse Grained Model for Nanoparticle-Protein IntEractions.” PI G. Brancolini | |
| Collaborartions | University of Massachusetts at Amherst, TU Dublin, Uni Stuttgart, HITS Heidelberg, Univ. Abu Dhabi |
| Publications | |
| M Bini, V Tozzini, G Brancolini Deconstructing Electrostatics of Functionalized Metal Nanoparticlesfrom Molecular Dynamics Simulations J Phys Chem B 2023 | |
| M. Monti, G. Brancolini, E. Coccia, D. Toffoli, A. Fortunelli, S. Corni, M. Aschi, and M. Stener The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au38(SC2H4Ph)24 Cluster J Phys Chem Lett 2023 | |
| M Bini, G Brancolini, V Tozzini Aggregation behavior of nanoparticles: Revisiting the phase diagram of colloids Front Mol Biosci 2022 | |
| G. Brancolini; V. M. Rotello; S. Corni Role of Ionic Strength in the Formation of Stable Supramolecular Nanoparticle–Protein Conjugates for Biosensing. Int. J. Mol. Sci. 2022 | |
| M. Ray, G. Brancolini, D.C. Luther, Z. Jiang, R. Cao-Milán, A.M. Cuadros, A. Burden, V. Clark, S. Rana, R. Mout, R.F. Landis, S. Corni, and V.M. Rotello High affinity protein surface binding through co-engineering of nanoparticles and proteins. Nanoscale, 2022 | |
| G Brancolini, H Lopez, S Corni, V Tozzini Low-resolution models for the interaction dynamics of coated gold nanoparticles with β2-microglobulin Int J Mol Sci 2019 | |
| G Brancolini, V Tozzini Multi-scale modeling of Proteins interactions with functionalized Nanoparticles Curr Opin Coll Int Sci 2019 | |
| G Brancolini, V Tozzini Building Minimalist Models for Functionalized Metal Nanoparticles Front Mol Biosci 2019 | |
| V Tozzini, G Brancolini Coarse Grained and Multi-scale modeling of biofunctionalized nanoparticles Curr. Opin. Colloid In. 2019 | |
| G Brancolini, MC Maschio, C Cantarutti, A Corazza, F Fogolari, S Corni, G Esposito Citrate stabilized Gold Nanoparticles interfere with Amyloid Fibril formation: D76N and N6 Variants. Nanoscale 2018 | |
| G Brancolini, A Corazza, M Vuano, F Fogolari, MC Mimmi, V Bellotti, M Stoppini, S Corni, G Esposito, Probing the Influence of Citrate-Capped Gold Nanoparticles on an Amyloidogenic Protein ACS Nano 2015 | |
| G Brancolini, D Toroz, S Corni, Can small hydrophobic gold nanoparticles inhibit beta2-Microglobulin fibrillation? Nanoscale 2014 | |
| G Brancolini DB Kokh, L Calzolai, RC Wade, S Corni. Docking of Ubiquitin to Gold Nanoparticles. ACS Nano 2012 |