Publications

  1. S. La Manna, A. Cugudda, F.A. Mercurio, M. Leone, S. Fortuna, C. Di Natale, E.Lagreca, P.A. Netti, V. Panzetta, D. Marasco
    PEGylated SOCS3 Mimetics Encapsulated into PLGA-NPs as Selective Inhibitors of JAK/STAT Pathway in TNBC Cell
    Int. J. Nanomedicine, 2024, 19, 7237-7251.
  2. G.P. Barletta, R. Tandiana, M. Soler, S. Fortuna, W. Rocchia
    Locuaz: an in silico platform for protein binders optimization
    Bioinformatics, 2024, 40 (8), btae492.
  3. Zampieri, M. Romano, S. Fortuna, E. Amata, M. Dichiara, G. Cosentino, A. Marrazzo, M.G. Mamolo
    Design, Synthesis, and Cytotoxic Assessment of New Haloperidol Analogues
    Molecules, 2024, 29(11), 2697.
  4. M. Iacomino, N. Houerbi, S. Fortuna, J. Howe, S. Li, G. Scorrano, A. Riva, K.-W. Cheng, M. Steiman, I. Peltekova, A. Yusuf, S. Baldassari, S. Tamburro, P. Scudieri, I. Musante, A. Di Ludovico, S. Guerrisi, G. Balagura, A. Corsello, S. Efthymiou, D. Murphy, P. Uva, A. Verrotti, C. Fiorillo, M. Delvecchio, A. Accogli, M. Elsabbagh, H. Houlden, S.W. Scherer, P. Striano, F. Zara, T.-F. Chou, V. Salpietro
    Allelic heterogeneity and abnormal vesicle recycling in PLAA-related neurodevelopmental disorders
    Front. Mol. Neurosci., 2024, 17, 1268013.
  5. R. Tandiana, G.P. Barletta, M.A. Soler, S. Fortuna, W. Rocchia
    Computational Mutagenesis of Antibody Fragments: Disentangling Side Chains from ΔΔG Predictions
    J. Chem. Theory Comput., 2024, 20, 6, 2630–2642.
  6. A.R. Buzatu, M.A. Soler, S. Fortuna, O. Ozkilinc, D.M. Dreavă, I. Bîtcan, V. Badea, P. Giannozzi, F. Fogolari, L. Gardossi, F. Peter, A. Todea, C.G. Boeriu
    Reactive natural deep eutectic solvents increase selectivity and efficiency of lipase catalyzed esterification of carbohydrate polyols
    Catal. Today, 2024, 426, 114373.
  7. A.R. Buzatu, M.A. Soler, O. Ozkilinc, S. Fortuna, D.M. Dreavă, I. Bîtcan, P. Giannozzi, F. Fogolari, L. Gardossi, F. Peter, A. Todea, C.G. Boeriu
    Lipase-catalysed esterification in a reactive natural deep eutectic solvent leads to lauroylcholine chloride rather than glucose ester
    React. Chem. Eng., 2024, 9, 2623-2634.
  8. G. Scorrano, G. D’Onofrio, A. Accogli, M. Severino, R. Buchert, U. Kotzaeridou, G. Iapadre, G. Farello, M. Iacomino, F. Dono, L. Di Francesco, M.F. Fiorile, S. La Bella, A. Corsello, E. Calìn, G. Di Rosa, E. Gitto, A. Verrotti, S. Fortuna, M.A. Soler, F. Chiarelli, B. Oehl-Jaschkowitz, T.B. Haack, F. Zara, P. Striano,V. Salpietro
    A PAK1 mutational hotspot within the regulatory CRIPaK domain is associated with severe neurodevelopmental disorders in children
    Pediatr. Neurol., 2023, 14, 84-92.
  9. D. Zampieri, A. Calabretti, M. Romano, S. Fortuna, S. Collina, E. Amata, M. Dichiara, A. Marrazzo, M.G. Mamolo
    Cytotoxicity profiles and neuroprotective properties of the novel ifenprodil analogues as sigma ligands
    Molecules, 2023, 28(8), 3431.
  10. M.A. Soler, N. Minovski, W. Rocchia, S. Fortuna,
    Replica-exchange optimization of antibody fragments
    Comput. Biol. Chem., 2023, 103, 107819.
  11. A. Alsadig, B. Abbasgholi-NA, H. Vondracek, Ba. Medagli, S. Fortuna, P. Posocco, P. Parisse, H. Cabrera, L. Casalis
    DNA-Directed Protein Anchoring on Oligo/Alkanethiol-Coated Gold Nanoparticles: A Versatile Platform for Biosensing Applications
    Nanomaterials, 2023, 13(1), 78.
  12. V. Salpietro, V. Galassi-Deforie, S. Efthymiou, E. O’Connor, A. Marcé-Grau, R. Maroofian, P. Striano, F. Zara, M. Morrow, SYNAPS Study Group , A. Reich, A. Blevins, J. Sala-Coromina, A. Accogli, S. Fortuna, M. Alesandrini, P. Y. Billie Au, N. Shah Singhal, B. Cogne, B. Isidor, M. G. Hanna, A. Macaya, D. M. Kullmann, H. Houlden, R. Männikkö
    De novo KCNA6 variants with attenuated KV1.6 channel deactivation in patients with epilepsy
    Epilepsia, 2023, 64:2, 443-455.
  13. D. Zampieri, S. Fortuna, M. Romano, A. De Logu, G. Cabiddu, A. Sanna, M.G. Mamolo
    Synthesis, Biological Evaluation and Computational Studies of New Hydrazide Derivatives Containing 1,3,4-Oxadiazole as Antitubercular Agents
    Int. J. Mol. Sci., 2022, 23(23), 15295.
  14. A.L. Ferrara, M. Bova, A. Petraroli, D. Marasco, C. Payré, S. Fortuna, F. Palestra, R. Ciardi, G. Marone, G. Spadaro, G. Lambeau, S. Loffredo
    Interplay between C1‑inhibitor and group IIA secreted phospholipase A2 impairs their respective function
    Immunol. Res., 2023, 71, 70–82
  15. E. Calì, C. Rocca, Y. Sahin, A. Al Shamsi, E. Chehadeh Salima, K. Mankad, E. Galanaki, S. Efthymiou, S. Sudhakar A. Athanasiou, T. Çelik, N. Narlı, S. Bianca, SYNAPS Study Group, A. Accogli, R. Nardello, P. De Marco, M. Ruggieri, F. Zara, P. Striano, Y. Şahin, L. Al-Gazali, A. Warde Marie Therese, C. Beetz, B. Gerarde, S. Fortuna, M. Soler, E.M. Valente, R. Maroofian, V. Salpietro, H. Houlden
    A homozygous MED11 C-terminal variant causes a lethal neurodegenerative disease
    Genet. Med., 2022, 24(10), 2194-2203
  16. S. La Manna, S. Fortuna, M. Leone, F.A. Mercurio, I. Di Donato, R. Bellavita, P. Grieco, F. Merlino, and D. Marasco
    Ad-hoc modifications of cyclic mimetics of SOCS1 protein: structural and functional insights
    Eur. J. Med. Chem., 2022, 243, 114781.
  17. P. Borgia, S. Baldassari, N. Pedemonte, E. Alkhunaizi, G. D’Onofrio, D. Tortora, E. Calì, P. Scudieri, G. Balagura, I. Musante, M.C. Diana, M. Pedemonte, M.S. Vari, M. Iacomino, A. Riva, R. Chimenz, G.D. Mangano, M. Hasan Mohammadi, M. Beiraghi Toosi, F. Ashrafzadeh, S. Imannezhad, E. Ghayoor Karimiani, A. Accogli, M.C. Schiaffino, M. Maghnie, M.A. Soler, K. Echiverri, C.K. Abrams, P. Striano, S. Fortuna, R. Maroofian, H. Houlden, F. Zara, C. Fiorillo, V. Salpietro
    Genotype-phenotype correlations and disease mechanisms in PEX13-related Zellweger Spectrum Disorders
    Orphanet J. Rare Dis., 2022, 17, 286.
  18. P.B.P.S. Reis, P.G. Barletta, L. Gagliardi, S. Fortuna, M.A. Soler, and W. Rocchia
    Antibody-Antigen binding interface analysis in the Big Data era
    Front. Mol. Biosci. 2022, 9, 945808.
  19. D. Zampieri, S. Fortuna, M. Romano, E. Amata, M. Di Chiara, A. Marrazzo, L. Pasquinucci, R. Turnaturi, M.G. Mamolo
    Design, synthesis and biological evaluation of novel aminopropylcarboxamide derivatives as sigma ligands
    Bioorg. Med. Chem. Lett., 2022, 72, 128860.
  20. A. Todea, S. Fortuna, C. Ebert, F. Asaro, S. Tomada, M. Cespugli, F. Hollan, L. Gardossi
    Rational guidelines for the two-step scalability of enzymatic polycondensation: experimental and computational optimization of the enzymatic synthesis of poly(glycerolazelate)
    ChemSusChem, 2022, e202102657.
  21. N.A.R. Ring, M.C. Volpe, T. Stepišnik, M.G. Mamolo, P. Panov, D. Kocev, S. Vodret, S. Fortuna, S. Calabretti, M. Rehman, A. Colliva, P. Marchesan, L. Camparini, T. Marcuzzo, R. Bussani, S. Scarabellotto, M. Confalonieri, T.X. Pham, G. Ligresti, N. Caporarello, F.S. Loffredo, D. Zampieri, S. Džeroski, S. Zacchigna
    Wet-dry-wet drug screen leads to the synthesis of TS1, a novel compound reversing lung fibrosis through inhibition of myofibroblast differentiation
    Cell Death Dis., 2022, 13, 2.
  22. S. D’Agostino, E. Mazzega, K. Praček, S. Piccinin, F. Pivetta, M. Armellina, S. Fortuna, R. Maestro, A. de Marco
    Interference of p53:Twist1 interaction through competing nanobodies
    Int. J. Biol. Macromol., 2022, 194, 24-31.
  23. C. Cantarutti, C. Vargas, C. Dogmo, M. Dumoulin, C. Santambrogio, R. Grandori, S. Lamanna, D. Marasco, G. Scoles, M.A. Soler, A. Corazza, S. Fortuna
    Insights on peptides topology in the computational design of protein ligands: the example of lysozyme binding peptides
    Phys. Chem. Chem. Phys., 2021, 23, 23158-23172.
  24. M. Orlando, S. Fortuna, S. Oloketuyi, G. Bajc, A. Goldenzweig, A. de Marco
    CDR1 composition can affect nanobody recombinant expression yields
    Biomolecules, 2021, 11(9), 1362.
  25. S. Fortuna, M. Cespugli, A. Todea, A. Pellis, L. Gardossi
    Criteria for engineering cutinases: bioinformatics analysis of catalophores
    Catalysts, 2021, 11(7), 784.
  26. S. La Manna, L. Lopez-Sanz, S. Bernal, S. Fortuna, F.A. Mercurio, P.L. Scognamiglio, M. Leone, C. Gomez-Guerrero, D. Marasco
    Cyclic mimetics of Kinase-Inhibitory Region of Suppressors of Cytokine Signaling 1: toward novel antinflammatory therapeutics
    Eur. J. Med. Chem., 2021, 221, 113547.
  27. D. Ubbiali, M. Orlando, M. Kovačič, C. Iacobucci, M. Semrau, G. Bajc, S. Fortuna, G. Ilc, B. Medagli, S. Oloketuyi, P. Storici, A. Sinz, R. Grandori, A. de Marco
    An anti-HER2 nanobody binds to its antigen HER2 via two independent paratopes
    Int. J. Biol. Macromol., 2021, 182, 502-511.
  28. M.A. Soler, B. Medagli, J. Wang, S. Oloketuyi, G. Bajc, H. Huang, S. Fortuna, A. de Marco
    Effect of humanizing mutations on the stability of the llama single-domain variable region
    Biomolecules, 2021, 11(2), 163.
  29. A. Feyisara Adedeji Olulana, M.A. Soler, M. Lotteri, H. Vondracek, L. Casalis, D. Marasco, M. Castronovo, S. Fortuna
    Computational Evolution of Beta-2-Microglobulin Binding Peptides for Nanopatterned Surface Sensors
    Int. J. Mol. Sci., 2021, 22(2), 812.
  30. R. Roca-Pinilla, S. Fortuna, A. Natalello, A. Sánchez-Chardi, D. Ami, A. Arís, E. Garcia-Fruitós
    Exploring the use of leucine zippers for the generation of a new class of inclusion bodies for pharma and biotechnological applications
    Microb. Cell. Fact., 2020, 19, 175.
  31. L. Scarabel, M. Garziera, S. Fortuna, F. Asaro, G. Toffoli, S. Geremia
    Soluble HLA-G expression levels and HLA-G/irinotecan association in metastatic colorectal cancer treated with irinotecan-based strategy
    Sci. Rep., 2020, 10, 8773.
  32. S. La Manna, L. Lopez-Sanz, F.A. Mercurio, S. Fortuna, M. Leone, C. Gomez-Guerrero, D Marasco
    Chimeric peptidomimetics of SOCS 3 able to interact with JAK2 as anti-inflammatory compounds
    ACS Med. Chem. Lett., 2020, 11, 5, 615-623.
  33. T. de Sousa Fonseca, K. Benedetti Vega, M. Reinaldo da Silva, M. da Conceição Ferreira de Oliveira, T. Leda Gomes de Lemos, M.L. Contente, F. Molinari, M. Cespugli, S. Fortuna, L. Gardossi, and M.C. de Mattosa
    Lipase mediated enzymatic kinetic resolution of phenylethyl halohydrins acetates: A case of study and rationalization
    Mol. Catal., 2020, 485, 110819.
  34. D. Zampieri, S. Fortuna, A. Calabretti, M. Romano, R. Menegazzi, D. Schepmann, B. Wünsch, M.G. Mamolo
    Synthesis, Cytotoxicity Evaluation and Computational Insights of Novel 1,4-Diazepane-Based Sigma Ligands
    ACS Med. Chem. Lett., 2020, 11, 5, 651-656.
  35. M.A. Soler, B. Medagli, M. S. Semrau, P. Storici, G. Bajc, A. de Marco, A. Laio, and S. Fortuna
    A consensus protocol for the in silico optimisation of antibody fragments
    Chem. Comm., 2019, 55, 14043 – 14046
  36. S. Efthymiou, V. Salpietro, N. Malintan, M. Poncelet, Y.Kriouile, S. Fortuna,  R. De Zorzi, K. Payne, L.B. Henderson, A. Cortese, S. Maddirevula, N. Alhashmi, S. Wiethoff, M. Ryten, J.A. Botia, V. Provitera, M. Schuelke, J. Vandrovcova, SYNAPS Study Group, L. Walsh, E. Torti, V. Iodice, M. Najafi, E.G. Karimiani, R. Maroofian, K. Siquier-Pernet, N. Boddaert, P. De Lonlay, V. Cantagrel, M. Aguennouz, M. El Khorassani, M. Schmidts, F.S. Alkuraya, S. Edvardson, M. Nolano, J. Devaux, H. Houlden
    Biallelic mutations in Neurofascin cause neurodevelopmental impairment and peripheral demyelination
    Brain, 2019, 142, 10, 2948–296
  37. D. Zampieri, M.G. Mamolo, J. Filingeri, S. Fortuna, A. De Logu, A. Sannac, and D. Zanon
    Design, synthesis and antimycobacterial activity of benzoxazinone derivatives and open-ring analogues: preliminary data and computational analysis
    Bioorg. Med. Chem. Lett. , 2019, 29, 17, 2468-2474
  38. D. Zampieri, S. Fortuna, A. Calabretti, M. Romano, R. Menegazzi, D. Schepmann, B. Wuensch, S. Collina, D. Zanon, and M.G. Mamolo
    Discovery of new potent dual sigma receptor/GluN2b ligands with antioxidant property as neuroprotective agents
    Eur. J. Med. Chem., 2019, 180, 268-282
  39. V. Salpietro, C. L. Dixon, H. Guo, O. D. Bello, G. H. Heimer, L. Burglen, S. Valence, E. Torti, M. Cho, M. Hacke, J. Rankin, H. Tariq, S. Efthymiou, E. Colin, V. Procaccio, P. Striano, K. Mankad, A. Lieb, S. Chen, L. Pisani, C. Bettencourt, R. Manniko, A. Manole, A. Brusco, G. B. Ferrero, J. Armstrong Moron, A. Van Haeringen, C. Ruivenkamp, C. Nava, D. Heron, F. Zara, C. Minetti, A Skabar, A. Fabretto, 100,000 Genome Project, Deciphering Developmental Disorders Study, SYNAPS Study Group, M. Raspall-Chaure, M. Chez, A. Tsai, E. Fassi, M. Shinawi, J. Costantino, R. De Zorzi, S. Fortuna, B. Keren, D. Bonneau, M. Choi, B. Benzeev, J. Clayton-Smith, A. Macaya, J. E. Rothman, E. Eichler, D. M. Kullmann, and H. Houlden
    AMPA receptor GluA2 subunit defects are a cause of neurodevelopmental disorders
    Nat. Commun., 2019, 10, 3094
  40. V. Salpietro, N.T. Malintan, I. Llano-Rivas, C.G. Spaeth, S. Efthymiou, P. Striano, J. Vandrovcova, M.C. Cutrupi, R. Chimenz, E. David, G. Di Rosa, A. Marce-Grau, M. Raspall-Chaure, E. Martin-Hernandez, F. Zara, C. Minetti, Deciphering Developmental Disorders Study, SYNAPS Study Group, O.D. Bello, R. De Zorzi, S. Fortuna, A. Dauber, M. Alkhawaja, T. Sultan, K. Mankad, A. Vitobello, Q. Thomas, F. Tran Mau-Them, L. Faivre, F. Martinez-Azorin, C.E. Prada, A. Macaya, D.M. Kullmann, J.E. Rothman, S.S. Krishnakumar, and H. Houlden
    Mutations in the neuronal vesicular SNARE VAMP2 affect synaptic membrane fusion and impair human neurodevelopment
    Am. J. Hum. Genet., 2019, 104, 1-10
  41. S. Fortuna, and K. Johnston
    Influence of Molecule-Surface and Molecule-Molecule Interactions on Two-Dimensional Patterns formed by Functionalised Aromatic Molecules
    J. Phys. Chem. C, 2018, 122, 26, 14459-14466 (COVER ARTICLE!)
  42. M.A. Soler, S. Fortuna, A. de Marco, and A. Laio
    Binding affinity prediction of nanobody-protein complexes by scoring of molecular dynamics trajectories
    Phys. Chem. Chem. Phys., 2018, 20 , 3438-3444 (2018 PCCP HOT Article!)
  43. T.W. White, D.A. Duncan, S. Fortuna, Y.-L. Wang, B. Moreton, T.-L. Lee, P. Blowey, G. Costantini, and D.P. Woodruff
    A structural investigation of the interaction of oxalic acid with Cu(110)
    Surf. Sci., 2018, 668, pp 134-143
  44. M.A. Soler, and S. Fortuna
    Influence of linker flexibility on the binding affinity of bidentate binders
    J. Phys. Chem. B, 2017, 121 (16), pp 3918-3924
  45. S. Fortuna, and D.L. Cheung
    Design principles for the formation of ordered patterns in binary mixtures of colloidal particles on spherical droplets
    Colloid Interface Sci. Commun., 2017, 17, 10-13
  46. M.A. Soler, A. Rodriguez, A. Russo, A. Feyisara Adedeji, C.J. Dongmo Foumthuim, C. Cantarutti, E. Ambrosetti, L. Casalis, A. Corazza, G. Scoles, D. Marasco, A. Laio, and S. Fortuna
    Computational design of cyclic peptides for the customized oriented immobilization of globular proteins
    Phys. Chem. Chem. Phys., 2017, 19, 2740-2748
  47. M.A. Soler, A. de Marco, and S. Fortuna
    Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies Access the recommendation on F1000Prime
    Sci. Rep., 2016, 6, 34869
  48. S. Fortuna
    Oxalic acid adsorption states on the clean Cu(110) surface
    Surf. Sci., 2016, 653, 41-44
  49. S. Fortuna, D.L. Cheung, and K. Johnston
    Phase behaviour of self-assembled monolayers controlled by tuning physisorbed and chemisorbed states: a lattice-model view
    J. Chem. Phys., 2016, 144(13), 134707
  50. F. Fogolari, C.J. Dongmo Foumthuim, S. Fortuna, M.A. Soler, A. Corazza, and G. Esposito
    Accurate estimation of the entropy of rotation-translation probability distributions
    J. Chem. Theory Comput., 2016, 12 (1), 1-8
  51. S. Fortuna, F. Fogolari, and G. Scoles
    Chelating effect in short polymers for the design of bidentate binders of increased affinity and selectivity
    Sci. Rep., 2015, 5, 15633
  52. A. Russo, P.L. Scognamiglio, R.P. Hong Enriquez, C. Santambrogio, R. Grandori, D. Marasco, A. Giordano, G. Scoles, and S. Fortuna
    In silico generation of peptides by replica exchange Monte Carlo: Docking-based optimization of maltose-binding-protein ligands
    PLoS ONE, 2015, 10(8): e0133571
  53. F. Fogolari, A. Corazza, S. Fortuna, M.A. Soler, B. VanSchouwen, G. Brancolini, S. Corni, G. Melacini, and G. Esposito
    Distance-based configurational entropy of proteins from molecular dynamics simulations
    PLoS ONE, 2015, 10(7): e0132356
  54. P. Gargiani, G. Rossi, R. Biagi, V. Corradini, M. Pedio, S. Fortuna, A. Calzolari, S. Fabris, J. Criginski Cezar, N. Brookes, and M.G. Betti
    Spin and orbital configuration of metal phthalocyanine chains assembled on the Au(110) surface
    Phys. Rev. B, 2013, 87, 165407
  55. M.G. Betti, P. Gargiani, C. Mariani, R. Biagi, J. Fujii, G. Rossi, A. Resta, S. Fabris, S. Fortuna, X. Torrelles, M. Kumar, and M. Pedio
    Structural phases of ordered FePc-nanochains self-assembled on Au(110)
    Langmuir, 2012, 28 (37), 13232-13240
  56. M.G. Betti, P. Gargiani, C. Mariani, S. Turchini, N. Zema, S. Fortuna, A. Calzolari, and S. Fabris
    Formation of Hybrid Electronic States in FePc Chains Mediated by the Au(110) Surface
    J. Phys. Chem. C, 2012, 116 (15), 8657-8663
  57. S. Fortuna, P. Gargiani, M.G. Betti, C. Mariani, A. Calzolari, S. Modesti, and S. Fabris
    Molecule-Driven Substrate Reconstruction in the Two-Dimensional Self-Organization of Fe-Phthalocyanines on Au(110)
    J. Phys. Chem. C, 2012, 116 (10), 6251-6258
  58. R. Chen, D. J. G. Pearce, S. Fortuna, D. L. Cheung, and S. A. F. Bon
    Polymer Vesicles with a Colloidal Armor of Nanoparticles
    J. Am. Chem. Soc., 2011, 133 (7), 2151-2153
  59. S. Fortuna, and A. Troisi
    Agent based modelling for the 2D molecular self-organization of realistic molecules
    J. Phys. Chem. B, 2010, 114 (31), 10151-10159
  60. S. Fortuna, D. L. Cheung, and A. Troisi
    Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface
    J. Phys. Chem. B, 2010, 114 (5), 1849-1858
  61. S. Fortuna, and A. Troisi
    An artificial intelligence approach for modeling molecular self-assembly: Agent Based simulations of rigid molecules
    J. Phys. Chem. B, 2009, 113 (29), 9877-9885Langmuir 2009 COVER
  62. S. Fortuna, C. A. L. Colard, A. Troisi, and S. A. F. Bon
    Packing patterns of silica nanoparticles on surfaces of armored polystyrene latex particles
    Langmuir, 2009, 25 (21), 12399-12403 (COVER ARTICLE!)