Research Groups of the Pharmaceutical and Nutraceutical Section
Research Groups of the Medicinal Chemistry Sub-section
Laboratory Head: Prof. Vittoria Colotta
Affiliated staff: Prof. Daniela Catarzi, Prof. Flavia Varano
Research lines
Design and synthesis of small molecules as pharmacological tools and potential therapeutic agents
The research activity of the medicinal chemistry group focuses on the synthesis and structural characterization of new small molecules specifically designed to modulate biological targets involved in high-impact diseases, with the aim of identifying innovative therapeutic strategies. Particular emphasis is placed on the development of ligands for adenosine receptors, carbonic anhydrase modulators, and inhibitors of casein kinase 1δ (CK1δ) and ecto-5′-nucleotidase (CD73). These targets are of considerable interest as potential therapeutic approaches for cancer and neurodegenerative diseases, including Alzheimer’s disease, Parkinson’s disease, multiple sclerosis, and amyotrophic lateral sclerosis. A significant component of the research activity is dedicated to the design and synthesis of multitarget ligands, with the aim of exploring their potential as innovative polypharmacological agents for the treatment of multifactorial diseases. The group adopts a strongly interdisciplinary approach, working in close collaboration with research teams dedicated to the biological and pharmacological evaluation of synthesized compounds, as well as their in silico modeling and structural optimization. At the same time, the team actively implements strategies aimed at improving the sustainability of synthesis and purification processes of the developed compounds.
Laboratory Head: Prof. Maria Paola Giovannoni
Affiliated staff: Dr. Letizia Crocetti, Dr. Gabriella Guerrini, Dr. Claudia Vergelli.
Research lines
Synthesis of A1/A3 adenosine receptor antagonists
Design and synthesis, evaluation of receptor affinity using the NanoBRET technique, studies on tumor cell cultures, synthesis of optical probes, molecular modeling studies.
Study of inhibitors of the SARS-CoV-2 Main Protease (Mpro)
Design and synthesis, in vitro tests, enzyme kinetics studies, assays on cell cultures, molecular modeling studies.
Development of Pannexin-1 (Panx1) channel blockers
Design and synthesis, electrophysiological studies using the voltage clamp technique, in vivo studies on neuropathic pain, in vitro studies on renal cyst growth, molecular modeling studies.
Synthesis of five-membered heterocycles as ligands for Iron (Fe) and Gallium (Ga)
Design and synthesis, chelation tests, PET imaging.
Search for selective agonists of the Formyl Peptide Receptor 2 (FPR2) as anti-inflammatory agents
Design and synthesis, in vitro tests to evaluate intracellular calcium mobilization, β-arrestin assays, in vivo tests on osteoarthritis models.
Metallo-β-lactamase inhibitors
Design and synthesis, evaluation of enzymatic activity, studies on different resistant bacterial strains, molecular modeling studies.
Inhibitors of biofilm formation in bacteria
Design and synthesis, evaluation of activity on resistant Gram (-) bacterial strains.
Head: Prof. Paola Gratteri
Affiliated staff: Dr. Alessio Nocentini, Dr. Alessandro Bonardi
Research lines
Development and application of computational chemistry, bioinformatics, and molecular graphics tools for rational drug design and lead identification.
The main computational approaches used, both structure-based and ligand-based, include:
- molecular docking,
- molecular dynamics simulations;
- statistical mechanics methodologies for analyzing the thermodynamics of ligand–receptor complex formation;
- prediction of ADMET properties;
- hybrid QM/MM methods;
- multivariate analysis methods.
Main targets of interest:
- DNA, both in its double helix (ds) conformation and in non-canonical G-quadruplex structures;
- carbonic anhydrases (human and bacterial) and other metalloenzymes; aspartyl proteases; channel receptors; G protein-coupled receptors.
Head: Prof. Dina Manetti
Affiliated staff: Prof. Maria Novella Romanelli, Prof. Elisabetta Teodori, Dr. Laura Braconi
Research lines
The research activity concerns the rational design, synthesis, and optimization of bioactive small molecules through medicinal chemistry approaches and structure–activity relationship (SAR) studies. In particular, development of triciclic azepinoindolic ibogalogs as selective serotonergic ligands, characterized through receptor profiling. The activity also includes the design of acrylamide allosteric modulators of the α7 nicotinic receptor and inhibitors of protein tyrosine phosphatase 1B (PTP1B), with studies on ligand–target interactions, selectivity, and pharmacological optimization.
Another line of research concerns the design, synthesis, and optimization of modulators of efflux pumps (P-gp, MDR1 and BCRP) responsible for multidrug resistance (MDR) in tumor cells. The group also focuses on the design and synthesis of blockers of HCN (Hyperpolarization-activated Cyclic Nucleotide-gated) ion channels and piperazine-based compounds as modulators of carbonic anhydrase isoforms.
Laboratory Head: Prof. Paolo Rovero
The Laboratory of Peptide and Protein Chemistry and Biology (PeptLab, www.peptlab.unifi.it) is an interdepartmental research unit between NeuroFarBa and the Department of Chemistry "Ugo Schiff". It represents a multidisciplinary technological platform active in peptide science (design, synthesis, and analytical, structural, and biological characterization), with attention both to synthetic aspects, including environmental sustainability, and to applied and translational outcomes, particularly in the pharmaceutical, cosmetic, and biomaterials fields. Alongside strong research activity, the laboratory is also engaged in advanced training and especially in technology transfer.
Head: Prof. Claudiu T Supuran
Affiliated staff: Prof. Fabrizio Carta, Prof. Silvia Selleri, Dr. Andrea Angeli, Dr. Alessio Nocentini, Dr. Alessandro Bonardi
Research lines
The laboratory’s research activity is mainly focused on medicinal chemistry and drug discovery, with particular reference to the study of carbonic anhydrases and the development of new bioactive compounds with potential therapeutic applications.
Design and synthesis of carbonic anhydrase modulators
Development of new classes of inhibitors and activators of carbonic anhydrases through rational design approaches and advanced medicinal chemistry methodologies. Exploration of new chemical scaffolds and optimization of known compound families as carbonic anhydrase modulators. Drug discovery and development of compounds for various therapeutic applications
- oncology
- glaucoma and ocular diseases
- epilepsy
- obesity and metabolic diseases
- bacterial, fungal, and parasitic infections
- neurological diseases and pain
Structural and crystallographic studies
Determination and analysis of the three-dimensional structure of enzyme–ligand complexes using X-ray crystallography, in order to understand molecular recognition mechanisms and guide the design of new compounds.
Molecular modeling and computational studies
Application of molecular modeling techniques to study ligand–target interactions and support the rational design of new enzymatic modulators.
Biochemical and pharmacological evaluation of compounds
Characterization of the activity of synthesized compounds through enzymatic assays and pharmacological studies on different carbonic anhydrase isoforms of physiological and pathological interest.
Research Groups of the Food Chemistry Sub-section
Laboratory Head: Prof. Nadia Mulinacci
Affiliated staff: Prof. Marzia Innocenti, Dr. Maria Bellumori
Research lines
The research group is dedicated to the advanced study of raw materials and finished products of plant origin, with an integrated approach combining the optimization of extraction processes and the development of innovative analytical methodologies. The core activity focuses on the analysis of bioactive compounds and their chemical characterization, with particular attention to phenolic compounds, polysaccharides, and their contribution to the nutritional and functional quality of foods.
At the same time, the group develops fractionation processes aimed at obtaining extracts enriched in biomolecules from both food matrices and plant and marine biomass. A strategic area of research concerns the sustainable valorization of agri-food production. In this context, the group works on the recovery of high value-added compounds from by-products of supply chains and on the development of innovative extracts aimed at evaluating their potential impact on health. Among the main research lines is the study of the effect of technological processes, such as fermentation and germination, on the composition of food matrices, on the bioavailability of bioactive compounds, and on the reduction of antinutritional factors. These activities are fully aligned with the objectives of the 2030 Agenda, contributing to the promotion of responsible production and consumption models and to the efficient use of resources. The group actively participates in interdisciplinary projects, integrating chemical, technological, and biological expertise, and places strong emphasis on technology transfer. Collaborations with companies in the agri-food sector represent a key element in promoting innovation, quality, and sustainability, while enhancing the nutraceutical properties of products.
Last update
18.03.2026