Publications

Alzaabi, A., D. Abubaker, J. Sapudom, Y. Hunashal, F. Piano, and J. C. M. Teo. "Chronic Cholesterol Exposure Disrupts Macrophage Polarization and Cytokine Secretion in a 3D Microenvironment." ACS Omega 11 (2026): 9408–9420.

Benyettou, F., T. Prakasam, M. Khair, O. Abdullah, M. Lusi, H. Paterson, M. Alkaabi, et al. "Manganese-Templated Nontrivial Structures for MRI and Therapy." Journal of the American Chemical Society 148 (2026): 15529–15549.

Battaglia, G., Y. Hunashal, S. Gopinadhan, H. H. Gan, Y. Moussa, F. S. Mohammed Refai, A. Amoresano, et al. "Assessing Acetyl-Coenzyme A Carboxylase Activity and Inhibition in Caenorhabditis elegans Using a Partially Purified Protein Extract." Analytical Chemistry 97 (2025): 18907–18917.

Blavier, J., G. Esposito, J.-C. Twizere, and P. Percipalle. "Targeting Viral Complexes with mRNA-Encoded Nanobodies: A New Frontier for Antiviral Design." Drug Discovery Today 30 (2025): 1–10.

Fahs, H. Z., F. S. Refai, S. Gopinadhan, Y. Moussa, H. H. Gan, Y. Hunashal, G. Battaglia, et al. "A New Class of Natural Anthelmintics Targeting Lipid Metabolism." Nature Communications 16 (2025): 305–319.

Hunashal, Y., G. Battaglia, F. S. Mohammed Refai, H. Zahreddine Fahs, K. C. Gunsalus, G. Esposito, and F. Piano. "Analytical Characterization and Biological Assay of Avocado Lipids with Nematocidal Activity." Food Chemistry 491 (2025): 145215.

Quartey, B. C., J. Sapudom, P. S. Tipay, Y. Hunashal, S. Alshehhi, M. Arnoux, T. Cardoso, et al. "Hydrogel-based Tumor Tissue Microarchitecture Reshapes Dendritic Cell Metabolic Profile and Functions." Advanced Healthcare Materials (2025): 2500681.

Esposito, G., Y. Hunashal, M. Percipalle, F. Fogolari, T. Venit, A. Leonchiks, K. C. Gunsalus, F. Piano, and P. Percipalle. "Assessing Nanobody Interaction with SARS-CoV-2 Nsp9." PLoS ONE 19 (2024): e0303839.

Venit, T., J. Blavier, S. B. Maseko, S. Shu, L. Espada, C. Breunig, H.-P. Holthoff, et al. "Nanobodies Against SARS-CoV-2 Non-structural Protein Nsp9 Inhibit Viral Replication." Molecular Therapy - Nucleic Acids 35 (2024): 102304.

Kumar, M., C. Cantarutti, D. C. Thorn, V. Bellotti, G. Esposito, M. R. Wilson, H. Ecroyd, and J. A. Carver. "The extracellular chaperone clusterin prevents primary and secondary nucleation of an amyloidogenic variant of ß2-microglobulin." Australian Journal of Chemistry 76, no. 10 (2023): 696-708.

Soler, M. A., O. Ozkilinc, Y. Hunashal, P. Giannozzi, G. Esposito, and F. Fogolari. "Molecular Electrostatics pKa Shifts Calculations with the Generalized Born Model. A Tutorial Through Examples with Bluues2." Computer Physics Communications 287 (2023): 108716.

Cantarutti, C., Y. Hunashal, C. La Rosa, M. Condorelli, S. Giorgetti, V. Bellotti, F. Fogolari, and G. Esposito. "The Corona of Protein-Gold Nanoparticle Systems: The Role of Ionic Strength." Physical Chemistry Chemical Physics 24 (2022): 1630–1637.

Hunashal, Y., M. Percipalle, T. Molnar, J. Kardos, P. Percipalle, and G. Esposito. "Approaching Protein Aggregation and Structural Dynamics by Equilibrium and Non-equilibrium Paramagnetic Perturbation." Analytical Chemistry 94 (2022): 10949–10958.

Esposito, G., Y. Hunashal, M. Percipalle, T. Venit, M. M. Dieng, F. Fogolari, G. Hassanzadeh, et al. "NMR-Based Analysis of Nanobodies to SARS-CoV-2 Nsp9 Reveals a Possible Antiviral Strategy Against COVID-19." Advanced Biology 5 (2021): 2101113.

Palanikumar, L., L. Karpauskaite, M. Al Sayegh, I. Chehade, M. Alam, S. Hassan, D. Maity, et al. "Protein Mimetic Amyloid Inhibitor Potently Abrogates Cancer-Associated Mutant p53 Aggregation and Restores Tumor Suppressor Function." Nature Communications 12 (2021): 3962.

Percipalle, M., Y. Hunashal, J. Steyaert, F. Fogolari, and G. Esposito. "Structure of Nanobody Nb23." Molecules 26 (2021): 3567.

Prakasam, T., Y. Hunashal, C. Cantarutti, S. Giorgetti, G. Faravelli, V. Mondani, S. S. Kumar, et al. "Topologically Non-trivial Metal-Organic Assemblies Inhibit β2-Microglobulin Amyloidogenesis." Cell Reports Physical Science 2 (2021): 100477.

Henning-Knechtel, A., S. Kumar, C. Wallin, S. Krol, S. Wärmländer, J. Jarvet, G. Esposito, et al. "Designed Cell-Penetrating Peptide Inhibitors of Amyloid-Beta Aggregation and Cytotoxicity." Cell Reports Physical Science 1 (2020): 100014.

Hunashal, Y., C. Cantarutti, S. Giorgetti, L. Marchese, H. Molinari, N. Niccolai, F. Fogolari, and G. Esposito. "Exploring Exchange Processes in Proteins by Paramagnetic Perturbations of NMR Spectra." Physical Chemistry Chemical Physics 22 (2020): 6247–6259.

Hunashal, Y., C. Cantarutti, S. Giorgetti, L. Marchese, F. Fogolari, and G. Esposito. "Insights into a Protein-Nanoparticle System by Paramagnetic Perturbation NMR Spectroscopy." Molecules 25 (2020): 5187.

Cantarutti, C., F. Fogolari, Y. Hunashal, V. Ferrara, A. Caragnano, A. P. Beltrami, U. Livi, S. Sponga, and G. Esposito. "Assessing the Effect of Preservation in Heart Transplant Protocol: Cold Ischemia Versus Normothermic Perfusion." Biomarkers & Applications 3 (2019): 139.

Brancolini G., Maschio M.C., Cantarutti C., Corazza A., Fogolari F., Corni S., Esposito G. "Citrate stabilized Gold Nanoparticles interfere with Amyloid Fibril formation: D76N and ∆N6 β2-microglobulin Variants." Nanoscale 10 (2018): 4973–4806.

Cantarutti, C., P. Bertoncin, P. Posocco, Y. Hunashal, S. Giorgetti, V. Bellotti, F. Fogolari, and G. Esposito. "The Interaction of β2-Microglobulin and Gold Nanoparticles: Impact of Coating, Charge and Size." Journal of Materials Chemistry B 6 (2018): 5964–5974.

Cantarutti, C., P. Bertoncin, P. Posocco, Y. Hunashal, S. Giorgetti, V. Bellotti, F. Fogolari, and G. Esposito. "Interference of Citrate-Stabilized Gold Nanoparticles on β2-Microglobulin Oligomeric Association." Chemical Communications 54 (2018): 5422–5425.

Sponga, S., V. Ferrara, A. Beltrami, A. Bonetti, C. Cantarutti, A. Caragnano, G. Esposito, et al. "Outcome of Heart Transplantation with Marginal Donors: Cold Storage vs Normothermic Perfusion." Journal of Cardiovascular Medicine 19 (2018): e27.

Fogolari, F., A. Corazza, and G. Esposito. "Free energy, enthalpy and entropy from implicit solvent end-point simulations." Frontiers in Molecular Biosciences 5 (2018): 11.

Cantarutti, C., G. Raj, F. Fogolari, S. Giorgetti, A. Corazza, V. Bellotti, P. Naumov, and G. Esposito. "Interference of citrate-stabilized gold nanoparticles with β2-microglobulin oligomeric association." Chemical Communications 54, no. 43 (2018): 5422-5425.

Cantarutti, C., S. Raimondi, G. Brancolini, A. Corazza, S. Giorgetti, M. Ballico, S. Zanini, et al. "Citrate-Stabilized Gold Nanoparticles Hinder Fibrillogenesis of a Pathological Variant of β2-Microglobulin." Nanoscale 9, no. 11 (2017): 3941–3951.

Prakasam, T., A. R. Bilbiesi, R. El-Khoury, L. J. Charbonnière, M. Elhabiri, G. Esposito, J.-C. Olsen, and A. Trabolsi. "Topological Transformation of a Trefoil Knot into a [2] Catenane." Dalton Transactions 46, no. 47 (2017): 16474–16479.

Raimondi, S., R. Porcari, P. P. Mangione, G. Verona, J. Marcoux, S. Giorgetti, G. W. Taylor, et al. "A Specific Nanobody Prevents Amyloidogenesis of D76N β2-Microglobulin In Vitro and Modifies Its Tissue Distribution In Vivo." Scientific Reports 7 (2017): 46711.

Foumthuim, C. J. D., Corazza, A., Esposito, G., and Fogolari. "Molecular dynamics simulations of β2-microglobulin interaction with hydrophobic surfaces." Molecular BioSystems 13, no. 12 (2017): 2625-2637.

Capuano, A., F. Fogolari, F. Bucciotti, P. Spessotto, P. A. Nicolosi, M. T. Mucignat, M. Cervi, G. Esposito, A. Colombatti, and R. Doliana. "The α4β1/EMILIN1 interaction discloses a novel and unique integrin-ligand type of engagement." Matrix Biology 66 (2018): 50-66.

Cantarutti, C., P. Bertoncin, A. Corazza, S. Giorgetti, P. P. Mangione, V. Bellotti, F. Fogolari, and G. Esposito. "Short-Chain Alkanethiol Coating for Small-Size Gold Nanoparticles Supporting Protein Stability." Magnetochemistry 3, no. 4 (2017): 40.

Raimondi S., Porcari R., Mangione P.P., Verona G., Marcoux J., Giorgetti S., Taylor G.W., Elllmerich S., Ballico M., Zanini S., Pardon E., Al-Shawi R., J.P. Simons, Corazza A., Fogolari F., Gillmore J.D., P.N. Hawkins, Valli M., Stoppini M., Robinson C.V., Steyaert J., Esposito G., Bellotti V. "A specific nanobody prevents amyloidogenesis of D76N β2-microglobulin in vitro and modifies its tissue distribution in vivo." Scientific Reports 7, no. 1 (2017): 46711.

Banelli, T., Vuano, M., Fogolari, F., Fusiello, A., Esposito, G., and Corazza, A.  "Automation of peak-tracking analysis of stepwise perturbed NMR spectra." Journal of biomolecular NMR 67, no. 2 (2017): 121-134.

Camilloni C., Sala B., Sormanni P., Porcari R., Corazza A., de Rosa M., Zanini S., Barbiroli A., Esposito G., Bolognesi M., Bellotti V., Vendruscolo M., Ricagno S. "Rational design of mutations that change the aggregation rate of a protein while maintaining its native structure and stability." Scientific Reports 6 (2016): 25559.

Brancolini G., Corazza A., Vuano M., Fogolari F., Mimmi M.C., Bellotti V., Stoppini M., Corni S, Esposito G. "Probing the influence of citrate-capped gold nanoparticles on an amyloidogenic protein." ACS Nano 9, no. 3 (2015): 2600–2613.

Fogolari, F., C. J. D. Foumthuim, S. Fortuna, M. A. Soler, A. Corazza, and G. Esposito. "Accurate Estimation of the Entropy of Rotation–Translation Probability Distributions." Journal of Chemical Theory and Computation 12, no. 1 (2016): 1-8.

Fogolari, F., 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 10, no. 7 (2015): e0132356.

Fogolari, F., A. Corazza, and G. Esposito. "Accuracy assessment of the linear Poisson–Boltzmann equation and reparametrization of the OBC generalized Born model for nucleic acids and nucleic acid–protein complexes." Journal of Computational Chemistry 36, no. 9 (2015): 585-596.

Baratta W. Baldino S., Calhorda M.J., Costa P.J., Esposito G., Herdtweck E., Magnolia S., Mealli C., Messaoudi A., Mason S.A., Veiros L.F. "CNN Pincer Ruthenium Catalysts for Hydrogenation and Transfer Hydrogenation of Ketones: Experimental and Computational Studies." Chemistry–A European Journal 20, no. 42 (2014): 13603-13617.

Halabelian, L., S. Ricagno, S. Giorgetti, C. Santambrogio, A. Barbiroli, S. Pellegrino, A. Achour et al. "Class I major histocompatibility complex, the Trojan horse for secretion of amyloidogenic β2-microglobulin." Journal of Biological Chemistry 289, no. 6 (2014): 3318-3327.

Mimmi, M. C., N. Finato, G. Pizzolato, C. A. Beltrami, F. Fogolari, A. Corazza, and G. Esposito. "Absolute Quantification of Choline-Related Biomarkers in Breast Cancer Biopsies by Liquid Chromatography Electrospray Ionization Mass Spectrometry." Analytical Cellular Pathology 36 (2013): 71–83.

Rennella, E., A. Corazza, L. Codutti, V. Bellotti, M. Stoppini, P. Viglino, F. Fogolari, and G. Esposito. "Determining the Energy Landscape of Proteins by a Fast Isotope Exchange NMR Approach." Journal of the American Chemical Society 134 (2012): 4457–4460.

Rennella, E., A. Corazza, L. Codutti, A. Causero, V. Bellotti, M. Stoppini, P. Viglino, F. Fogolari, and G. Esposito. "Single-Shot NMR Measurement of Protein Unfolding Landscapes." Biochimica et Biophysica Acta 1824 (2012): 842–849.