12:00
Registration
14:00 – 14:30
Welcome and Opening Ceremony
SESSION 1
Mechanistic Insight in Binding and Activity
Chairs: Michele Saviano and Marco Chino
14:30 – 15:00
[KL01]
Gianantonio Battistuzzi
— Università di Modena e Reggio Emilia, Italy
Reduction thermodynamics to unravel the molecular factors influencing the E°’ of redox metalloproteins
15:00 – 15:15
[*OC01]
Miriam Malagnini
— Aix-Marseille University, France
Electrochemical characterization of C. pasteurianum hydrogenase II and four site-directed variants: catalysis and inhibition
15:15 – 15:30
[*OC02]
Mario Prejanò
— Università della Calabria
Effect of distal aminoacidic mutations to Fe(III)/Fe(II) redox potential in human neuroglobin: insights from molecular modeling
15:30 – 15:40
[OC01]
Mirco Meglioli
— Università di Modena e Reggio Emilia
Role of Distal Residues in Controlling the Interaction of Hydrogen Sulfide with Neuroglobin
15:40 – 15:55
[*OC03]
Chiara Bacchella
— Università degli Studi di Pavia
The Many Faces of Metal Ions in Neurodegeneration
15:55 – 16:10
[*OC04]
Luigi Russo
— Università degli Studi della Campania "Luigi Vanvitelli"
Mechanistic Insights into the Early Events of Prion Protein Pathogenic Conversion
16:10 – 16:40
Coffee Break
SESSION 2a
Natural and Artificial Metalloenzymes
Chairs: Angela Lombardi and Matteo Tegoni
16:40 – 17:25
[PL01]
Thomas R. Ward
— University of Basel & NCCR Molecular Systems Engineering, Switzerland
Artificial and Repurposed Metalloenzymes for in vivo New-to-Nature Catalysis: Challenges and Opportunities
17:25 – 17:45
[GOC01]
Francesca Valetti
— Università di Torino
Deciphering H-Cluster Protection Mechanisms in [FeFe]-Hydrogenases for the Design of Oxygen-Tolerant Catalysts
17:45 – 18:00
[*OC05]
Lorena Simunic
— Università degli Studi di Napoli Federico II
Artificial metalloenzymes inspired by LPMOs for waste valorization
18:00 – 18:10
[OC02]
Roberta Russo
— Università di Napoli Federico II
Exploring the catalytic potential of a miniaturized heme enzyme in new-to-nature reactions
18:10 – 18:40
[KL02]
Ulf Hanefeld
— TU Delft, The Netherlands
Versatility and Surprises with Manganese in Biocatalysis
19:00 – 21:00
Welcome Light Aperitif
SESSION 2b
Natural and Artificial Metalloenzymes
Chairs: Flavia Nastri and Maria Elisa Crestoni
9:30 – 10:00
[KL03]
Anabella Ivancich
— CNRS & Aix-Marseille University, France
De novo designed alpha-helical heme proteins as structural/functional models of bi-functional KatGs and cyt P450 peroxygenases
10:00 – 10:15
[*OC06]
Federica Arrigoni
— Università di Milano-Bicocca
Multiscale Computational Insights into the Structure–Function Relationships of [FeFe]-Hydrogenases
10:15 – 10:25
[OC03]
Iago De Assis Modenez
— CNRS & Aix-Marseille University, France
Probing Nε- and Nδ-histidine ligation in a de novo designed α-helical heme protein
10:25 – 10:35
[OC04]
Chiara Elena Palmiero
— Università di Napoli Federico II
MetalHawk 2.0: Beyond Octahedral Geometries with Neural Network Classification of Metal Sites
10:35 – 10:45
[OC05]
Alessia Procentese
— Università di Napoli Federico II
Design, synthesis, and characterization of a stimuli-responsive peptide-based hydrogel
10:45 – 10:55
[OC06]
Oluwasegun Eric Ajayi
— Università di Siena
Copper calling: Myxinidin and the ATCUN motif in metal binding
10:55 – 11:30
Coffee Break and Poster Session
SESSION 3
Biocatalysis: Theoretical and Experimental Approaches
Chairs: Tiziana Marino and Roberto Fattorusso
11:30 – 11:50
[GOC02]
Luca Bertini
— Università di Milano-Bicocca
How Do Laccases Oxidize Recalcitrant Substrates? Insights from Classical and DFT Modeling
11:50 – 12:05
[*OC07]
Rachele Zunino
— Università di Napoli Federico II
QM/MM Investigation of O2 Binding at the Binuclear Copper Active Site of Arthropod Hemocyanins: Insights Across Arthropod Lineages
12:05 – 12:20
[*OC08]
Rajesh Kushwaha
— University of Strasbourg
Biologically Robust Copper(I) Photocatalysis Enables Oxidation of Endogenous Reductants under Aqueous Conditions
12:20 – 12:30
[OC07]
Jishnu Sai Gopinath
— Czech Academy of Sciences
A Simple yet Efficient Model for Computing H-Atom Transfer Tunneling from Transition-State Properties
12:30 – 13:15
[PL02]
Franc Meyer
— Georg-August-Universität Göttingen, Germany
Bioinspired Dicopper/Dioxygen Chemistry: New Intermediates, Electronic Structures, and Reactivities
13:15 – 14:30
Light Lunch and Poster Session
SESSION 4a
Metals in Medicine and Diagnostics
Chairs: Stefania Galdiero and Alessandro Pratesi
Saluti istituzionali di Rossella Fasulo,
Presidente Ordine Regionale dei Chimici e dei Fisici della Campania
14:30 – 15:00
[KL04]
Fabio Carniato
— Università del Piemonte Orientale, Italy
Novel Mn(II)- and Fe(III)-based probes as alternatives to conventional Gd(III) MRI contrast agents
15:00 – 15:20
[GOC03]
Luigi Messori
— Università di Firenze
Metal compounds as prospective antibacterial agents. Case Studies
15:20 – 15:35
[*OC09]
Thomas Scattolin
— Università di Padova
Gold(I)–NHC Complexes Bearing Non-Steroidal Anti-Inflammatory Drugs: An Innovative Synthetic Approach and Antitumor Activity
15:35 – 15:50
[*OC10]
Diego Di Girolamo
— Università di Roma Tor Vergata
NAM-Oriented In Silico Dermatokinetic Modeling of TiO₂ and Cu-Phthalocyanine Tattoo Pigments for Risk Assessment
15:50 – 16:00
[OC08]
Simone Braccia
— Università di Napoli Federico II
Fe(III) coordination and membrane interaction drive the enhanced antimicrobial activity of a siderophore-peptide conjugate
16:00 – 16:30
Coffee Break and Poster Session
SESSION 4b
Metals in Medicine and Diagnostics
Chairs: Maria Pia Donzello and Riccardo Pettinari
16:30 – 16:45
[*OC11]
Diego Tesauro
— Università di Napoli Federico II
Insights into the behaviour of N-Heterocyclic Carbene (NHC) Gold(I) complexes targeting the Thioredoxin System
16:45 – 17:00
[*OC12]
Lara Massai
— Università di Firenze
Metal-Based Anticancer Drugs Targeting Cytochrome c: Molecular Insights and Clinical Perspectives
17:00 – 17:15
[*OC13]
Erika Ferrari
— Università di Modena e Reggio Emilia
Charge Matters: A Sulfonated TACN Chelator Enabling Neutral and Stable Cu(II) Complexes for ⁶⁴Cu radiopharmaceuticals
17:15 – 17:30
[*OC14]
Gina Elena Giacomazzo
— Università di Firenze
From Metal Complexes to Clinical Application: Ru(II)- and Os(II)-based Photosensitizers for PDT of Vulvar Intraepithelial Neoplasia
17:30 – 17:40
[OC09]
Erika Stefàno
— Università del Salento
NMR-Based Metabolomic Approach revealed different response of Pancreatic Ductal Adenocarcinoma cells to [Pt(O,O′-acac)(γ-acac)(DMS)] and cisplatin treatment
17:40 – 17:50
[OC10]
Lorenzo Risolo
— Università del Piemonte Orientale
Fluoride Coordination in Metal Complexes: Thermodynamic, Kinetic and Structural Insights for Sensing and Diagnostic Applications
17:50 – 18:00
[OC11]
Giulia Marcolli
— Politecnico di Milano
Enhanced metal ion recognition with bispidine-based fluorinated chemosensors
20:30
Social Dinner
SESSION 5
Metal-based drugs: Theoretical and Experimental Approaches
Chairs: Michele Benedetti and Giorgio Pelosi
9:30 – 10:00
[KL05]
Emilia Sicilia
— Università della Calabria, Italy
Computational insights on the anticancer activity of redox-activated Pt(IV) complexes
10:00 – 10:15
[*OC15]
Tiziano Marzo
— Università di Pisa
Human Serum Albumin: A Hidden Player in the Success of Anticancer Metallodrugs
10:15 – 10:30
[*OC16]
Mauro Ravera
— Università del Piemonte Orientale
An Unsymmetric Cisplatin-Based Pt(IV) Compound Containing 2-(2-Propynyl)Octanoate: A Coin With Many Faces
10:30 – 10:40
[OC12]
Giovanni Tonon
— Università di Venezia
Harnessing Mesoionic Carbenes: Synthesis and Antiproliferative Activity of Novel Steroidal Metal Bioconjugates
10:40 – 10:50
[OC13]
Daniele Belletto
— Università della Calabria
Passive diffusion of cisplatin and cisplatin-derived Pt(IV) prodrugs across a breast cancer plasma membrane: computational insights into the role of axial ligands
10:50 – 11:00
[OC14]
Alessia Dodaro
— Università della Calabria
Advanced computational investigation of human Transferrin as a vehicle for metallodrugs absorption against cancer
11:00 – 11:30
Coffee Break
SESSION 6
Metals in Medicine
Chairs: Daniela Marasco and Francesco Paolo Fanizzi
11:30 – 12:15
[PL03]
Gilles Gasser
— Chimie ParisTech, PSL University, CNRS i-CLeHS, France
Metal Complexes for Medicinal Applications
12:15 – 12:25
[OC15]
Federica De Castro
— Università del Salento
Sub-Lethal Stress vs Cytotoxic Threshold: Metabolic Rewiring of Neuroblastoma Cells Exposed to [Pt(η¹-C₂H₄OMe)(DMSO)(phen)]⁺ complex
12:25 – 12:35
[OC16]
Anna Maria Di Cosola
— Università di Bari
In vitro and ex vivo evaluation of dinuclear platinum–bisphosphonate complexes against prostate cancer bone metastasis models
12:35 – 12:45
[OC17]
Lorenzo Luciani
— Università di Camerino
Carbazole-Based NHC Cu(I) And Au(I) Complexes As Anticancer Agents
12:45 – 12:55
[OC18]
Claudia Ghelarducci
— Università di Pisa
Novel Pt(II) Complex-Peptide Conjugates for Targeted Anticancer Therapies: Synthesis, Characterization, and Bioactivity
12:55 – 13:10
[*OC17]
Damiano Cirri
— Università di Pisa
Iodide in Gold and Platinum Anticancer Complexes: Reactivity Is Not Activity
13:10 – 13:30
[GOC04]
Annie Castonguay
— INRS, Canada
Design of biologically active ruthenium-based organometallic complexes
13:30
Awards and Concluding Remarks