Research outputs

XXXVI Cycle

Publications

Bazayeva M, Laveglia V, Andreini C, Rosato A. Metal-induced structural variability of mononuclear metal-binding sites from a database perspective. J Inorg Biochem. 2023 Jan;238:112025. doi: 10.1016/j.jinorgbio.2022.112025

Bazayeva M, Giachetti A, Pagliai M, Rosato A. A Comparison of Bonded and Nonbonded Zinc(II) Force Fields with NMR Data. Int J Mol Sci. 2023 Mar 13;24(6):5440. doi: 10.3390/ijms24065440

Licciardi G, Rizzo D, Ravera E, Fragai M, Parigi G, Luchinat C. (2021). Not only manganese, but fruit component effects dictate the efficiency of fruit juice as an oral magnetic resonance imaging contrast agent. NMR in Biomedicine, 35(2), e4623. Journal I.F.: 4.5/p>

Licciardi G, Rizzo D, Salobehaj M, Massai L, Geri A, Messori L, Ravera E, Fragai M, Parigi G. (2022). Large Protein Assemblies for High-Relaxivity Contrast Agents: The Case of Gadolinium-Labeled Asparaginase. Bioconjugate Chemistry, 33(12), 2411-2419. Journal I.F.: 4.7/p>

Kaster M A, Levasseur M D, Edwardson T G, Caldwell M A, Hofmann D, Licciardi G, Parigi G, Luchinat C, Hilvert D, Meade T J. (2023). Engineered Nonviral Protein Cages Modified for MR Imaging. ACS Applied Bio Materials, 6(2), 591-602. Journal I.F.: 4.7/p>

Cerofolini L, Vasa K, Bianconi E, Salobehaj M, Cappelli G, Bonciani A, Licciardi G, Pérez-Ràfols A, Padilla-Cortés L, Antonacci S, Rizzo D, Ravera E, Viglianisi C, Calderone V, Parigi G, Luchinat C, Macchiarulo A, Menichetti S, Fragai M (2023). Combining Solid‐State NMR with Structural and Biophysical Techniques to Design Challenging Protein‐Drug
Conjugates. Angewandte Chemie International Edition, e202303202. Journal I. F.: 16.6

Pham LBT, Costantino A, Barbieri L, Calderone V, Luchinat E, Banci L. Direct expression of fluorinated proteins in human cells for 19F in-cell NMR spectroscopy. J. Am. Chem. Soc. 2023, 145, 2, 1389–1399, doi.org/10.1021/jacs.2c12086

Donati G, D’Amore VM, Russomanno P, Cerofolini L, Amato J, Marzano S, Salobehaj M, Rizzo D, Assoni G, Carotenuto A, La Pietra V, Arosio D, Seneci P, Fragai M, Brancaccio D, Di Leva FS, Marinelli L. Theoretical and experimental studies on the interaction of biphenyl ligands with human and murine PD-L1: Up-to-date clues for drug design, Comput. Struct. Biotechnol. J., 2023, 21, 3355-3368, doi.org/10.1016/j.csbj.2023.06.006

Fallarini S, Cerofolini L, Salobehaj M, Rizzo D, Gheorghita GR, Licciardi G, Capialbi DE, Zullo V, Sodini A, Nativi C, and Fragai M. Site-selective functionalized PD-1 mutant for a modular immunological activity against cancer cells. Biomacromolecules, 2023, doi: 10.1021/acs.biomac.3c00893

Communications at Conferences

Giulia Licciardi:

- Italian-French international conference on magnetic resonance by GIDRM, Milano, 27-30 September 2022; Poster contribution.

Lan Bach Tung Pham:

- Instruct-ERIC Structural Biology Biennial Conference May 2022 at Utrecth, The Netherlands. poster presentation

Maria Salobehaj:

- Convegno-Scuola sulla Chimica dei Carboidrato (XVIII CSCC 2023) 25-28 June 2023; poster contribution.

XXXV Cycle

Publications

Grifagni D, Calderone V, Giuntini S, Cantini F, Fragai M, Banci L . SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design. Chem Comm. 2021, 57(64), 7910-7913

Di Cesare, F., Tenori, L., Meoni, G. et al. Lipid and metabolite correlation networks specific to clinical and biochemical covariate show differences associated with sexual dimorphism in a cohort of nonagenarians. GeroScience, 2021, https://doi.org/10.1007/s11357-021-00404-3

Francesconi, O., Milanesi, F., Nativi, C., Roelens, S., Simple Biomimetic Receptor Selectively Recognizing the GlcNAc2 Disaccharide in Water, Angew. Chem. Int. Ed., 2021, 60, 11168-11176

Francesconi, O., Milanesi, F., Nativi, C., Roelens, S., Molecular Recognition of Disaccharides in Water: Preorganized Macrocyclic or Adaptive Acyclic? Chem. Eur. J., 2021, 27, 10456-10460

Marchetti R., Forgione R.E., Di Carluccio C., Milanesi F., Kubota M., Nieto F.F.,Molinaro A., Hashiguchi T., Francesconi O., Silipo A., Characterization of natural and synthetic sialoglycans targeting the Hemagglutinin-Neuraminidase of mumps virus, Front. Chem., doi: 0.3389/fchem.2021.711346

Torricella F, Bonucci A, Polykretis P, Cencetti F and Banci L. Rapid protein delivery to living cells for biomolecular investigation. Biochem Biophys Res Commun 2021, 570, 82-88; (IF:3.575)

Torricella, F., Pierro, A., Mileo, E., Belle, V., Bonucci, A., Nitroxide spin labels and EPR spectroscopy: A powerful association for protein dynamics studies. Biochim Biophys Acta Proteins Proteom 2021, 1869 (7), 140653

Maione V, Grifagni D, Torricella F, Cantini F, Banci L., CIAO3 protein forms a stable ternary complex with two key players of the human cytosolic iron-sulfur cluster assembly machinery. J Biol Inorg Chem.2020 May;25(3):501-508

Rizzo D, Cerofolini L, Pérez-Ràfols A, Giuntini S, Baroni F, Ravera E, Luchinat C, and Fragai M, Evaluation of the Higher Order Structure of Biotherapeutics Embedded in Hydrogels for Bioprinting and Drug Release, Anal. Chem. 2021, 93, 32, 11208–11214

Communications at Conferences

Francesca Di Cesare:

- Webinar, XXVI congresso nazionale SISET, 5th-7 th November 2021 Virtual poster contribution and short presentation: ¹H-NMR-based metabolomics reveals sex-effect in nonagenarian metabolic profiles and is a useful tool for the prediction of cognitive impairment and elderly depression
- Webinar, “EUROMAR 2021”, 5th-8 th July 2021 Virtual poster contribution and short presentation: 1H NMR-based metabolomics to investigate the effect of probiotics on human phenotype
- “11th PROBIOTICS, PREBIOTICS NEW FOODS, NUTRACEUTICALS AND BOTANICALS for NUTRITION & HUMAN and MICROBIOTA HEALTH”, 12nd-14th September 2021, Rome, Poster contribution: 1H NMR-based metabolomics to investigate the effect of probiotics on human phenotype
- Webinar, “Magnetic Resonance meets the future of Biophysics”, 25/09/2020, Virtual poster contribution:1H NMR-based metabolomics to investigate and analyze the sex-specific nonagenarian lipid and metabolite correlation networks

Francesco Milanesi:

- CIMPIS days 2020, 21st February 2020, University of Pavia, Oral communication "Biomimetic Receptors for Molecular Recognition of Disaccharides in Water"

- COST Action 18132 – WG1 (Virtual Meeting 1), 11th Genuary 2021, Oral communication (Book of Abstracts: page 8) "A tweezer-shaped diaminocarbazolic receptor for the selective recognition of N,N’-
diacetylchitobiose in water."
- ‘’A. Corbella’’ International Summer School on Organic Synthesis, 16th June 2021, Flash Communication (O-31) "A Simple Acyclic Receptor Recognizing the GlcNAc2 Disaccharide in Water."
- Advanced School on Carbohydrate Chemistry, 4th-7th July 2021, Oral communication and poster communication (OC-4; PC-10), Oral Title: "A Tweezers-Shaped Receptor for Molecular Recognition of the GlcNAc2
Disaccharide.", Poster Title: "Synthesis of a Thio-Analogue of Sialyllactose as Inhibitor of Mumps Virus Neuraminidase."
- SCI2021, 14th-23rd September 2021, Poster Communication (ORG PO072) "Tuning the Siglec-Sialylated Glycans Axis: Design and Synthesis of Novel Analogs and Mimetics."
- CINMPIS Days 2021, 8th September 2021,Oral Communication (OC26) "Synthesis of a Thio-Analogue of Sialyllactose to Target Mumps Virus Neuraminidase

Francesco Torricella:

- EFEPR school in BRNO 18-25/11/19 (Poster prize winner) molspin COST fellowship

XXXIV Cycle

Publications

Matteucci S, Camponeschi F, Clémancey M, Ciofi-Baffoni S, Blondin G, Banci L. In-cellulo Mӧssbauer and EPR studies bring new evidences to the long-standing debate on the iron-sulfur cluster binding in human anamorsin. Angew. Chem. Int. Ed. 2021, 60, 14841–14845

Rizzo D, Ravera E, Fragai M, Parigi G, Luchinat C. Origin of the MRI Contrast in Natural and Hydrogel Formulation of Pineapple Juice, Bioinorganic Chemistry and Applications. 2021, Article ID 6666018

Suraci D, Saudino G, Nasta V, Ciofi baffoni S, Banci L ISCA1 orchestrates ISCA2 and NFU1 in the maturation of human mitochondrial [4Fe-4S] proteins, J Mol Biol, 2021, 433, 10,166924

Altincekic N, Korn M, Schiavina M, et al.. Large-scale recombinant production of the SARS-CoV-2 proteome for high-throughput and structural biology applications, Frontiers in Molecular Biosciences, 2021, 8, 89

Schiavina M, Pontoriero L, Uversky, Felli IC, Pierattelli R. The highly flexible disordered regions of the SARS-CoV-2 nucleocapsid N protein within the 1–248 residue construct: sequence-specific resonance assignments through NMR. Biomolecular NMR Assignments, 2021, 15, 1, 219-227

Pontoriero L., Schiavina M., Murrali M., Pierattelli P., Felli I.C., Monitoring the Interaction of α‐Synuclein with Calcium Ions through Exclusively Heteronuclear Nuclear Magnetic Resonance Experiments, Angew. Chem. Int. Ed.2020, 132, 18696-18704

Mateos B; Conrad-Billroth C; Schiavina M.; Beier A; Kontaxis G; Konrat R; Felli IC; Pierattelli R The ambivalent role of proline residues in an intrinsically disordered protein: from disorder promoters to compaction facilitators J Mol Biol. 2020 doi: 10.1016/j.jmb.2019.11.015

Schiavina M, Salladini E, Murrali MG, Tria G, Felli IC, Pierattelli R, Longhi S Ensemble description of the intrinsically disordered N-terminal domain of the Nipah virus P/V protein from combined NMR and SAXS. Sci Rep.2020 Nov 11;10(1):19574.

Cerofolini L, Ravera E, Bologna S, Wiglenda T, Böddrich A, Purfürst B, Benilova I, Korsak M, Gallo G, Rizzo D, Gonnelli L, Fragai M, De Strooper B, Wanker EE, Luchinat C. Mixing Aβ(1-40) and Aβ(1-42) peptides generates unique amyloid fibrils. Chem Commun (Camb).2020; 56, 8830-8833.

Schiavina,M, Murrali MG, Letizia Pontoriero, Sainati V, Kümmerle R, Bermel W, Pierattelli R, Felli IC Taking Simultaneous Snapshots of Intrinsically Disordered Proteins in Action, Biophys J, (2019) 117, 46-55 (IF 3.495)

Daniels, M.J.; Nourse, J.B. Jr; Kim, H.; Sainati V.; Schiavina, M.; Murrali, M.G.; Pan, B.; Ferrie, J.J.; Haney, C.M.; Moons, R.; Gould, N.S.; Natalello, A.; Grandori, R.; Sobott, F.; Petersson, E.J.; Rhoades, E.; Pierattelli, R.; Felli, I.C.; Uversky, V.N.; Caldwell, K.A.; Caldwell, G.A.; Krol, E.S.; Ischiropoulos, H. Cyclized NDGA modifies dynamic -synuclein monomers preventing aggregation and toxicity Scientific reports. (2019) 9, 2937 (IF 4.525)

Murrali MG, Schiavina M, Sainati V, Bermel W, Pierattelli R, Felli IC., 13 C APSY-NMR for sequential assignment of intrinsically disordered proteins. J Biomol NMR. (2018); 70, 167-175, (IF 2.534)

Communications at Conferences

Marco Schiavina:

- XLVIII National Congress on Magnetic Resonance: 11th -13th September 2019 L’Aquila (Italy)
- Annual CCPN Conference - Celebrating 30 years of triple resonance assignment methods 15th-17th July 2020 On-Line
- iNEXT 1st annual scientific meeting – 16th February 2021, flash talk.
- Exploring the druggability of SARS-CoV2 online seminar – 9th 10th November 2020, flash talk.
- 22nd International Society of Magnetic Resonance Conference 9th Asia-Pacific NMR Symposium（APNMR9) – 22-27th August 2021, poster presentation confirmed.

Giovanni Saudino:

- 45th FEBS Congress, Molecules of Life: Towards New Horizons, 3rd to 8th July 2021. Poster presentation.
- Scuola Nazionale di Risonanza Magnetica Nucleare - Universita' di Torino, organized by GIDRM from 8th to 12nd of July 2019.

XXXIII Cycle

Publications

Luchinat E, Barbieri L, Cremonini M, Banci L. Protein in-cell NMR spectroscopy at 1.2 GHz. J Biomol NMR. 2021 75(2-3):97-107

Pirazzini C, Azevedo T, Licari C, et al. A geroscience approach for Parkinson's disease: Conceptual framework and design of PROPAG-AGEING project PROPAG-AGEING Consortium. Mech Ageing Dev. 2021, 194:111426

Prusty NR, Camponeschi F, Ciofi Baffoni S, Banci L. The human YAE1-ORAOV1 complex of the cytosolic iron-sulfur protein assembly machinery binds a [4Fe-4S] cluster, InorgChim Acta, 2021, 518, 1

Suraci D, Saudino G, Nasta V, Ciofi baffoni S, Banci L ISCA1 orchestrates ISCA2 and NFU1 in the maturation of human mitochondrial [4Fe-4S] proteins, J Mol Biol, 2021, 433, 10, 166924

Camponeschi F, Prusty NR, Heider SAE, Ciofi-Baffoni S, Banci L. GLRX3 Acts as a [2Fe-2S] Cluster Chaperone in the Cytosolic Iron-Sulfur Assembly Machinery Transferring [2Fe-2S] Clusters to NUBP1. J Am Chem Soc.2020;142, 10794-10805.

Basoglu A., Baspinar N., Licari C., Tenori L., Naseri A. Nmr based serum metabolomics for monitoring newborn preterm calves’ health DOI: 10.14943/jjvr.68.2.105 (2020) Japanese Journal of Veterinary Research, 68 (2), pp. 105-115

Basoglu, A., Turgut, K., Baspinar, N., Tenori, L., Licari, C., Ince, M.E., Ertan, M., Suleymanoglu, H., Sayiner, S. Nmr based serum extracts’ metabolomics for evaluation of canine ehrlichiosis DOI: 10.14943/jjvr.68.4.227 (2020) Japanese Journal of Veterinary Research, 68 (4), pp. 227-236.

BasogluA.; Baspinar N.; Tenori L.; Licari C.; GulersoyE. NuclearMagnetic Resonance (NMR)-Based Metabolome Profile Evaluation in Dairy Cows with and without Displaced Abomasum. Veterinary Quarterly2020, 40 (1), 1–15.

Luchinat E., Barbieri L., Cremonini M., Nocentini A., Supuran C.T., and Banci L. Intracellular binding/unbinding kinetics of approved drugs to carbonic anhydrase II observed by in-cell NMR. ACS Chem. Biol.2020 Sept doi.org/10.1021/acschembio.0c00590

Luchinat E., Barbieri L., Cremonini M., Nocentini A., Supuran C.T., Banci L. Drug screening in human cells by NMR allows early assessment of drug potency, Angew. Chem. Int. Ed.2020, 59, 6535 –6539

C. Granchi, M. Lapillo, S. Glasmacher, G. Bononi, C. Licari, G. Poli, M. el Boustani, I. Caligiuri, F. Rizzolio, J. Gertsch, M. Macchia, F. Minutolo, T. Tuccinardi, A. Chicca., Optimization of a benzoylpiperidine class identifies a highly potent, selective and in vivo efficacious reversible MAGL inhibitor; J Med Chem. February 2019, 62(4):1932-1958 (IF 6.05)

Nasta V, Suraci D, Gourdoupis S, Ciofi-Baffoni S, Banci L. A pathway for assembling [4Fe-4S]2+ clusters in mitochondrial iron-sulfur protein biogenesis. FEBS J. (2019) Nov 14. doi: 10.1111/febs.15140 (IF 4.739)

Vignoli A, Ghini V, Meoni G, Licari C, Takis PG, Tenori L, Turano P, Luchinat C. High-throughput metabolomics by 1D NMR, Angew Chem Int Ed Engl. (2018), doi: 10.1002/anie.(2018)04736 (IF 11.994)

Communications at Conferences

Cristina Licari:

- Keynote Lecture: 1st Conference on Innovative Researches in Pharmaceutical and Environmental Sciences – 27th November 2019, Pisa, Italy. “NMR-based metabolomics: applications and challenges for clinical and pharmaceutical research”

- Poster: GIDRM-IMASS Advances in NMR and MS-based Metabolomics 2019, 20th- 22th November 2019, Lucca, Italy. “The importance of bucketing procedure for NMR-based metabolomic fingerprinting”.

- PhD day 10th edition, 23rd May 2019, Sesto Fiorentino, Italy.
Oral communication: Nuclear Magnetic Resonance-based Metabolomic approach to study acute ischemic stroke.

- GIDRM XLVIII National Congress on Magnetic Resonance, 11th-13th September 2019, L’Aquila, Italy.
Poster contribution: The importance of bucketing procedure for NMR-based metabolomic fingerprinting

- EMBO workshop: Challenge for Magnetic Resonance in Life Sciences, 27-31 May 2018, Grosseto, IT.
Poster: Application of the NMR technique for the analysis of sera of subjects with diet enriched in DHA.

- GIDRM XLVII National Congress on Magnetic Resonance, 19-21 September 2018, Torino, IT.
Poster: Application of the NMR technique for the analysis of sera of subjects with diet enriched in DHA.

Matteo Cremonini:

- 4th iNEXT Annual User Meeting –June 26-28th 2019 – Lund, Sweden.
Poster: Protein expression in human cells for in-cell NMR

- Timb3 kick-off meeting - November 5-6th 2018 Sintra, Portugal.
Poster: Screening of carbonic anhydrase II inhibitors by in-cell NMR

Dafne Suraci:

- 2nd FeSBionet Training School, 09-14/09/2018, Grenoble
Poster contribution

- PhD Day University of Florence, 23/05/2019,
Poster Contribution

Nihar Ranjan Prusty:

- PhDday 10 2019, University of Florence, Sesto Fiorentino, FI, Italy
Poster: Fe-S protein biogenesis in the human cytosol

XXXII Cycle

Publications

Sala, D, Cerofolini L, Fragai L, Giachetti A, Luchinat C, Rosato A, A protocol to automatically calculate homo-oligomericprotein structures through the integration of evolutionary constraints and NMR ambiguous contacts. Computational and Structural Biotechnology Journal18, 2020, 114-124

Cerofolini L, Ravera E, Bologna S, Wiglenda T, Böddrich A, Purfürst B, Benilova I, Korsak M, Gallo G, Rizzo D, Gonnelli L, Fragai M, De Strooper B, Wanker EE, Luchinat C. Mixing Aβ(1-40)
and Aβ(1-42) peptides generates unique amyloid fibrils. Chem Commun (Camb).2020; 56, 8830-8833.

Murrali MG, Felli IC, Pierattelli R, Adenoviral E1A Exploits Flexibility and Disorder to Target Cellular Proteins; https://doi.org/10.3390/biom10111541,Biomolecules 2020, 10, 1541

Bonucci A, Murrali MG, Banci L, Pierattelli R A combined NMR and EPR investigation on the effect of the disordered RGG regions in the structure and the activity of the RRM domain of FUS. Sci Rep.2020, 10, 20956.

Murrali, MG, Piai,A., Bermel, W., Felli,IC, Pierattelli,R., Prolines' fingerprint in intrinsically disordered proteins, ChemBioChem, (2018), 19, 1625-1629. doi: 10.1002/cbic.(2018)00172 (IF 2.774)

D Sala, A Giachetti, A Rosato An atomistic view of the YiiP structural changes upon zinc (II) binding, Biochimica et Biophysica Acta (BBA) 1863, (2019), 1560-1567 (IF 3.861)

Bellomo G, Bologna S, Gonnelli L, Ravera E, Fragai M, Lelli M, Luchinat C. Aggregation kinetics of the Aβ1-40 peptide monitored by NMR. Chem Commun (Camb). (2018) 7601-7604. doi: 10.1039/c8cc01710g. (IF 6.290)

Bellomo G, Bologna S, Cerofolini L, Paciotti S, Gatticchi L, Ravera E, Parnetti L, Fragai M, Luchinat C., Dissecting the Interactions between Human Serum Albumin and α-Synuclein: New Insights on the Factors Influencing α-Synuclein Aggregation in Biological Fluids. J Phys Chem B. 2019, 123, 4380-4386. (IF 2.923)

Murrali MG, Schiavina M, Sainati V, Bermel W, Pierattelli R, Felli IC., 13 C APSY-NMR for sequential assignment of intrinsically disordered proteins. J Biomol NMR. (2018); 70, 167-175, (IF 2.534)

Sala, D., Musiani, F., Rosato, A. Application of Molecular Dynamics to the Investigation of Metalloproteins Involved in Metal Homeostasis Eur. J. Inorg. Chem. (2018), (43), pp. 4661-4677 (IF 2.507)

Sala, D., Giachetti, A., Rosato, A., Molecular dynamics simulations of metalloproteins: A folding study of rubredoxin from Pyrococcus furiosus AIMS Biophysics (2018) 5(1), pp. 77-96

Andreini C, Putignano V, Rosato A, Banci L.The human iron-proteome, Metallomics. (2018) doi: 10.1039/c8mt00146d. 10, 1223-1231 (IF 3.975)

Putignano V, Rosato A, Banci L, Andreini C., MetalPDB in 2018: a database of metal sites in biological macromolecular structures., Nucleic Acids Res. 2017, doi: 10.1093/nar/gkx989 (IF 10.162).

Sala, D., Ciambellotti, S., Giachetti, A., Turano, P., and Rosato, A., Investigation of the Iron(II) Release Mechanism of Human H-Ferritin as a Function of pH, J.Chem Inf.Model., 57, 2112-2118, 2017 (IF 3.760).

Sala, D., Giachetti, A., Luchinat, C., and Rosato, A. A protocol for therefinement of NMR structures using simultaneously pseudocontact shift restraints from multiple lanthanide ions. J.Biomol.NMR 66, 175-185 (2016) (IF 3.141)

Communications at Conferences

Sara Bologna

- Principina Terra (Grosseto): Challenges for magnetic resonance in life sciences EMBO (27/05/2018-01/06/2018) poster presentation “Human serum albumin and α-synuclein partnership: dissecting the interaction modes by NMR".

Maria Grazia Murrali

- “Challenges for magnetic resonance in life sciences” - EMBO workshop, Grosseto 27-31 May 2018, poster presentation.
- “Intrinsically disordered proteins conference” – Gordon Research Conference, Les Diablerets (Switzerland) 01-06 July 2018, poster presentation.
- “NMR: a tool for Biology” – Conference, Institut Pasteur, Paris, 28-30 January 2019, poster presentation.
- “EUROISMAR 2019” , Berlin 25-30 August 2019, poster presentation.

Davide Sala

- September 11th – 13th, 2019. DCSB 2019 - Oral presentation
- May 22nd – 24th, 2019. Instruct Biennial Structural Biology Conference: Deeper into the Cell - Poster presentation
- May 19th – 21st, 2018. Merck & Elsevier Young Chemists Symposium 2018 - Poster presentation
- September 10th – 14th, 2017. XXVI Congress of the Italian Chemical Society - Oral presentation

Here you can find the infos on the previous cycles