Scientific Program

12:00 - 14:15 Registration of participants

14:15 - 14:30 Opening Remarks

Alessandra Magistrato

14:30 - 16:45 Session 1 (part A) - Chairpersons: Alessandra Magistrato

14:30 - 15:00 IL01: Carme Rovira, University of Barcelona, Barcelona, Spain

"Deciphering enzymatic glycosylation mechanisms "

15:00 - 15:15 OR01: Rossella Buono, University of Naples Federico II

"Design and evaluation of dual-functional aptamer-peptide conjugates as a platform for targeted cancer therapy"

15:15 - 15:30 OR02: Margherita Piccardi, University of Pisa

“Optimizing a mesothelin-targeting protein scaffold for precision cancer therapy”

15:30 – 15:45 OR03: Chiara Ragusa, University of Catania

“Functionalized Deferasirox Derivatives for Targeted Metal Modulation in Cancer Cells”

15:45 – 16:00 OR04: Angela Parise, CNR-IOM Trieste

“Beyond the Static Structure: Decoding the Regulatory Logic of Rho GTPases via QM/MM and MD simulations ”

16:00 –16:45 Coffee Break & Poster Session* ☕📜 

16:45-18:20 Session 1 (part B) Chairpersons: Edoardo Cellupica

16:45-16:50 Italfarmaco “G. De Santis” Award Ceremony 🏅

16:50 – 17:20  AL01: Alessia Vignoli, University of Florence

"Translating Chemistry into Health: NMR-Based Metabolomics for Precision Medicine "

17:20 - 18:20 Assembly of the Members of the Division of Chemistry of Biological Systems

09:00 - 11:15 Session 2 (part A) Chairpersons: Francesco Musiani

09:00 – 09:05 Medal “G. Barone” Award Ceremony 🏅

09:05 – 09:35 AL02: Giorgio Colombo, University of Pavia

"Molecules in Motion: Folding, Recognition, and Design through Computational Chemistry"

09:35 – 09:50 OR05: Laura Cesati, University of Florence

“Cytochrome c as a target for gold-based anticancer drugs: from molecular interactions to therapeutic applications”

09:50 – 10:05 OR06: Luca Tongiorgi, University of Bologna

"An automated pipeline for filtering molecular docking results: application to structure-based virtual screening against TET2 with MD simulations of selected compounds"

10:05 – 10:20 OR07: Angela Belcastro, University of Milan-Bicocca

"Synthesis and biological evaluation of novel covalent inhibitors of MOK kinase for the treatment of neuroinflammation in amyotrophic lateral sclerosis"

10:20 – 10:35 OR08: Pietro Vidossich, Istituto Italiano di Tecnologia, Genova

"A Computational Pipeline for Enzyme Design of Polyester-Degrading Cutinases"

10:35 -11:30 Coffee Break and & Poster Session* ☕📜

11:15 - 12:20 Session 2 (part B) Chairpersons: Francesco Peri

11:30 – 11:45 Prize for Best PhD thesis 🏅 AL02: Luisa D'Anna, Donostia International Physics Center

"Salphen metal complexes and selective targeting of RNA/DNA G-Quadruplexes: A multidisciplinary approach"

11:45 – 12:00 OR09: Gaia Meoni, University of Florence

"Fluorine-Tagging Strategies for Amino Acid Detection by Low-Field ¹⁹F NMR Spectroscopy"

12:00 – 12:15 OR10: Martina Dragone, University of Campania-Luigi Vanvitelli

"Experimental and Computational Insights into Peptide Inclusion within β-Cyclodextrin Cavity"

12:15 – 12:30 OR11: Francesco Rinaldi, Istituto Italiano di Tecnologia, Genova

"A chemical biology probe identified through 19F NMR screening stimulates RAD51 oligomerization and disrupts BRC4 binding"

🍝12:30 - 14:15 Lunch 

14:15-16:15 Session 3 (part A) Chairpersons: Cecilia Pozzi

14:15 - 14:45 IL02: Caterina Alfano, RI.MED Foundation

"Beyond DOPA: Structural and Biophysical Insights into Mussel-Inspired Protein Bioadhesives"

14:45 – 15:00 OR12: Veronica Ghini, University of Florence 

"Using NMR to characterize gold(I)-based anticancer compounds and their ferritin conjugates"

15:00 – 15:15 OR13: Valentina Arciuolo, University of Naples Federico II

"Insights into i-Motif Folding within a Human Oncogene Promoter"

15:15 – 15:30 OR14: Gaetano Caputo, University of Campania Luigi Vanvitelli

"Toward Sustainable Agrochemicals: Advanced Delivery Systems for Chlorpropham and Propanil Herbicides "

15:30 -16:15 Coffee Break and & Poster Session* ☕📜

16:15 - 16:35 Session 3 (part B) Chairpersons: Alessio Romerio

16:15 – 16:35 Prize for Best Master Thesis 🏅 AL03: Gabriele Palma, University of Florence

"Novel methods to investigate multidomain proteins"

18:00 - 19:00 Social Tour Visiting Palermo 🏰⛵

20:00 Social Dinner 🍴 Palazzo Fatta 

Piazza Marina 19, Palermo

09:30-11:15 Session 4 (part A) Chairpersons: Danilo Milardi

09:30 - 10:00 IL03: Claudia Andreini, University of Florence

"Bioinformatics resources to study metals in biology"

10:00 - 10:15 OR15: Rebecca Calamandrei, University of Florence

"NMR reveals the binding mode of three different full-length clinically approved monoclonal antibodies for the same target"

10:15 – 10:30     OR16: Michele Menditto, University of Palermo

"Exploiting Translational Readthrough to Rescue p53 Expression in TP53 Nonsense Mutation-Driven Cancer Model "

10:30 – 10:45     OR17: Ricardo Pereira, University of Florence

"Non-Covalent N-Glycan-Directed Paramagnetic Tagging: Structural Analysis of Glycoproteins by NMR"

10:45 -11:15 Coffee Break and & Poster Session* ☕📜

11:15-13:00 Session 4 (part B) Chairpersons: Francesca Cantini

11:15 – 11:30         OR18: Valeria Lanza, CNR-IC Catania

"Unraveling the non-covalent interaction of SUMO-2 and Amyloid-Beta: implications in Alzheimer’s Disease"

11:30 – 11:45 OR19: Matteo Mori, UNIMORE  

"NNO tridentate Schiff base Ligands for Copper(II) Complexation: Modulating Electronic and Steric Effects for Supramolecular Assembly"

11:45 – 12:00 OR20: Riccardo Rozza, CNR-IOM Trieste 

"Zinc-aided reaction mechanism of splicing covalent inhibitor"

12:00 – 12:15 OR21: Elisa Ciulla, University of Palermo 

"Dual targeting of nonsense mutations and G-Quadruplex DNA structures: a novel strategy in cancer treatment"

12:15 – 12:30 OR22: Maria Salobehaj, University of Florence 

"Characterization of Intra- and Extracellular Metabolic Profiles by ¹H NMR in Aβ1-42-Treated Human Astrocytes from Healthy and Alzheimer's Disease Subjects"

12:30 – 12:45 OR23: Alessio Romerio, University of Milan-Bicocca 

"Harnessing Immunity: Synthesis of New Modulators of Toll-like Receptor 4 (TLR4)"

12:45-13:00 Closing Remarks